(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

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

	Common Name	(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide	English Name	(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
	CAS NO.	N/A	Molecular Weight	414.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₂₆N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

Molecular Formula	C26H26N2O3
Molecular Weight	414.5
Exact Mass	414.19434270
LogP	3.70
Standard SMILES	O=C(C1CCc2ccccc2C1)N(Cc1cccnc1)Cc1ccc2c(c1)OCCO2
Canonical SMILES	C1CC2=CC=CC=C2CC1C(=O)N(CC3=CC4=C(C=C3)OCCO4)CC5=CN=CC=C5
Isomeric SMILES	C1CC2=CC=CC=C2C[C@H]1C(=O)N(CC3=CC4=C(C=C3)OCCO4)CC5=CN=CC=C5
Standard InChI Identifier	InChI=1S/C26H26N2O3/c29-26(23-9-8-21-5-1-2-6-22(21)15-23)28(18-20-4-3-11-27-16-20)17-19-7-10-24-25(14-19)31-13-12-30-24/h1-7,10-11,14,16,23H,8-9,12-13,15,17-18H2/t23-/m0/s1
Standard InChI Key	CGYKFZSMNHFKRR-QHCPKHFHSA-N
Compound Complexity	599.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：5 Heavy Atom Count：31 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：414.19434270