2-methyl-N-[4-[2-[7-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]quinoline-5-carboxamide

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

	Common Name	2-methyl-N-[4-[2-[7-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]quinoline-5-carboxamide	English Name	2-methyl-N-[4-[2-[7-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
	CAS NO.	N/A	Molecular Weight	522.7
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₃H₃₈N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-methyl-N-[4-[2-[7-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]quinoline-5-carboxamide

Molecular Formula	C33H38N4O2
Molecular Weight	522.7
Exact Mass	522.29947647
LogP	6.30
Standard SMILES	Cc1ccc2c(C(=O)NC3CCC(CCN4CCc5ccc(-c6cc(C)on6)cc5CC4)CC3)cccc2n1
Canonical SMILES	CC1=NC2=CC=CC(=C2C=C1)C(=O)NC3CCC(CC3)CCN4CCC5=C(CC4)C=C(C=C5)C6=NOC(=C6)C
Isomeric SMILES	CC1=NC2=CC=CC(=C2C=C1)C(=O)NC3CCC(CC3)CCN4CCC5=C(CC4)C=C(C=C5)C6=NOC(=C6)C
Standard InChI Identifier	InChI=1S/C33H38N4O2/c1-22-6-13-29-30(4-3-5-31(29)34-22)33(38)35-28-11-7-24(8-12-28)14-17-37-18-15-25-9-10-27(21-26(25)16-19-37)32-20-23(2)39-36-32/h3-6,9-10,13,20-21,24,28H,7-8,11-12,14-19H2,1-2H3,(H,35,38)
Standard InChI Key	FYXCVEIIFVTALM-UHFFFAOYSA-N
Compound Complexity	801.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 Heavy Atom Count：39 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 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：522.29947647