2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-methylpyridin-3-yl)acetamide

Update Time: 2025-04-25 16:31:57

	Common Name	2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-methylpyridin-3-yl)acetamide	English Name	2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-methylpyridin-3-yl)acetamide
	CAS NO.	N/A	Molecular Weight	435.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₇H₃₇N₃O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(6-methylpyridin-3-yl)acetamide

Molecular Formula	C27H37N3O2
Molecular Weight	435.6
Exact Mass	435.28857743
LogP	4.70
Standard SMILES	Cc1ccc(NC(=O)CC2CCC3C4CCC5N(C)C(=O)C=CC5(C)C4CCC23C)cn1
Canonical SMILES	CC1=NC=C(C=C1)NC(=O)CC2CCC3C2(CCC4C3CCC5C4(C=CC(=O)N5C)C)C
Isomeric SMILES	CC1=NC=C(C=C1)NC(=O)C[C@H]2CCC3[C@@]2(CCC4C3CCC5[C@@]4(C=CC(=O)N5C)C)C
Standard InChI Identifier	InChI=1S/C27H37N3O2/c1-17-5-7-19(16-28-17)29-24(31)15-18-6-9-21-20-8-10-23-27(3,14-12-25(32)30(23)4)22(20)11-13-26(18,21)2/h5,7,12,14,16,18,20-23H,6,8-11,13,15H2,1-4H3,(H,29,31)/t18-,20?,21?,22?,23?,26-,27-/m1/s1
Standard InChI Key	IXLPSIICVQYSLW-DXHCUBPMSA-N
Compound Complexity	796.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：1 Rotatable Bond Count：3 Heavy Atom Count：32 Total Chiral Atom Count：7 Defined Chiral Atom Count：3 Undefined Chiral Atom Count：4 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：435.28857743