N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Update Time: 2025-04-25 17:03:18

	Common Name	N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide	English Name	N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
	CAS NO.	N/A	Molecular Weight	410.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₁₈N₂O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Molecular Formula	C21H18N2O5S
Molecular Weight	410.4
Exact Mass	410.09364285
LogP	3.20
Standard SMILES	O=C(c1ccc2c(c1)OCO2)N(Cc1nccs1)CC1COc2ccccc2O1
Canonical SMILES	C1C(OC2=CC=CC=C2O1)CN(CC3=NC=CS3)C(=O)C4=CC5=C(C=C4)OCO5
Isomeric SMILES	C1[C@H](OC2=CC=CC=C2O1)CN(CC3=NC=CS3)C(=O)C4=CC5=C(C=C4)OCO5
Standard InChI Identifier	InChI=1S/C21H18N2O5S/c24-21(14-5-6-17-19(9-14)27-13-26-17)23(11-20-22-7-8-29-20)10-15-12-25-16-3-1-2-4-18(16)28-15/h1-9,15H,10-13H2/t15-/m1/s1
Standard InChI Key	SNTJXMOQWANCNM-OAHLLOKOSA-N
Compound Complexity	581.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：0 Rotatable Bond Count：5 Heavy Atom Count：29 Total Chiral Atom Count：1 Defined Chiral Atom Count：1 Undefined Chiral Atom Count：0 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：410.09364285