AC1NFAV1

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

Also Known As: KS-00003RZ9|SS-0550|AM-807/14957058|propan-2-yl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-pyridin-4-yl-4H-pyran-3-carboxylate|isopropyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(4-pyridinyl)-|isopropyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(4-pyridinyl)-4H-pyran-3-carboxylate|propan-2-yl 6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(pyridin-4-yl)-4H-pyran-3-carboxylate|propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(pyridin-4-yl)-4H-pyran-3-carboxylate|isopropyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-(pyridin-4-yl)-4H-pyran-3-carboxylate|propan-2-yl6-amino-5-cyano-2-[({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)methyl]-4-(pyridin-4-yl)-4H-pyran-3-carboxylate

Molecular Formula	C27H27N5O3S
Molecular Weight	501.18347 g/mol
LogP	4.42286
Topological Polar Surface Area	134.91 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	501.18347
Monoisotopic Mass	501.18347
Heavy Atoms	36
Complexity	1305.1697

Chemical Identifiers

CAS Number	445384-11-2
SMILES	CC(C)OC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N