AC1MWBTI

ethyl 6-amino-4-(4-tert-butylphenyl)-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-00003RZ3|SS-0544|AM-807/14957205|Ethyl 6-amino-4-(4-(tert-butyl)phenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate|ethyl 6-amino-4-(4-tert-butylphenyl)-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate|ethyl 6-amino-4-(4-tert-butylphenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate|ethyl 6-amino-4-[4-(tert-butyl)phenyl]-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]met|ethyl 6-amino-4-(4-tert-butylphenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate|ethyl 6-amino-4-[4-(tert-butyl)phenyl]-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate|ethyl6-amino-4-(4-tert-butylphenyl)-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4H-pyran-3-carboxylate

Molecular Formula	C31H34N4O3S
Molecular Weight	542.23517 g/mol
LogP	5.93686
Topological Polar Surface Area	122.02 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	542.23517
Monoisotopic Mass	542.23517
Heavy Atoms	39
Complexity	1405.5233

Chemical Identifiers

CAS Number	445384-33-8
SMILES	CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)(C)C)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N