AC1NDI3P

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

Also Known As: KS-00003RZ6|SS-0547|AM-807/14957065|ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-thiophen-3-yl-4H-pyran-3-carboxylate|Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(thiophen-3-yl)-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-thienyl)-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-(thiophen-3-yl)-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-thienyl)-4H-pyr|ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(thiophen-3-yl)-4H-pyran-3-carboxylate|ethyl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(thiophen-3-yl)-4H-pyran-3-carboxylate

Molecular Formula	C25H24N4O3S2
Molecular Weight	492.129 g/mol
LogP	4.70086
Topological Polar Surface Area	122.02 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	492.129
Monoisotopic Mass	492.129
Heavy Atoms	34
Complexity	1236.0825

Chemical Identifiers

CAS Number	445384-12-3
SMILES	CCOC(=O)C1=C(OC(=C(C1C2=CSC=C2)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N