6-{[7-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-oxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]methyl}-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one

Update Time: 2025-04-25 16:33:36

	Common Name	6-{[7-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-oxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]methyl}-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one	English Name	6-{[7-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-oxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]methyl}-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one
	CAS NO.	N/A	Molecular Weight	523.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₆FN₇O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	6-{[7-{2-[3-fluoro-6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-oxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]methyl}-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one

Molecular Formula	C25H26FN7O3S
Molecular Weight	523.6
Exact Mass	523.18018705
LogP	1.30
Standard SMILES	COc1ccc2ncc(F)c(CCN3CCN4C(=O)N(Cc5ccc6c(n5)NC(=O)CS6)CC4C3)c2n1
Canonical SMILES	COC1=NC2=C(C(=CN=C2C=C1)F)CCN3CCN4C(C3)CN(C4=O)CC5=NC6=C(C=C5)SCC(=O)N6
Isomeric SMILES	COC1=NC2=C(C(=CN=C2C=C1)F)CCN3CCN4C(C3)CN(C4=O)CC5=NC6=C(C=C5)SCC(=O)N6
Standard InChI Identifier	InChI=1S/C25H26FN7O3S/c1-36-22-5-3-19-23(30-22)17(18(26)10-27-19)6-7-31-8-9-33-16(12-31)13-32(25(33)35)11-15-2-4-20-24(28-15)29-21(34)14-37-20/h2-5,10,16H,6-9,11-14H2,1H3,(H,28,29,34)
Standard InChI Key	NZJRODSXVMZZDT-UHFFFAOYSA-N
Compound Complexity	857.00
computational chemistry	Hydrogen Bond Acceptor Count：9 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 Heavy Atom Count：37 Total Chiral Atom Count：1 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：1 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：523.18018705