AC1NMW12

ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate

Also Known As: KS-00003RZB|SS-0552|AM-807/14957025|ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate|ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(3,4-dichloropheny|ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate|ethyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(3,4-dichlorophenyl)-4H-pyran-3-carboxylate

Molecular Formula	C27H24Cl2N4O3S
Molecular Weight	554.0946 g/mol
LogP	5.94616
Topological Polar Surface Area	122.02 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	554.0946
Monoisotopic Mass	554.0946
Heavy Atoms	37
Complexity	1391.2408

Chemical Identifiers

CAS Number	445384-07-6
SMILES	CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)Cl)Cl)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N