AC1MV2LX

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

Also Known As: KS-00003RZC|SS-0553|AM-807/14957023|propan-2-yl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate|Isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate|isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methy|isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate|propan-2-yl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate|propan-2-yl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate|propan-2-yl6-amino-4-(2-chlorophenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate

Molecular Formula	C28H27ClN4O3S
Molecular Weight	534.14923 g/mol
LogP	5.68126
Topological Polar Surface Area	122.02 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	534.14923
Monoisotopic Mass	534.14923
Heavy Atoms	37
Complexity	1370.4579

Chemical Identifiers

CAS Number	445384-05-4
SMILES	CC(C)OC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N