AC1LZJWR

propan-2-yl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate

Also Known As: CBKinase1_008456|CBKinase1_020856|KUC11034N|KS-00003RZ0|BAS 06900648|SS-0541|KSC-230-176-1|isopropyl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate|BRD-K05573702-001-01-5|propan-2-yl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate|Isopropyl 2-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetate|propan-2-yl 2-({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)acetate|methylethyl 2-(3-cyano-5,6,7,8,9-pentahydrocyclohepta[1,2-e]pyridin-2-ylthio)a cetate|propan-2-yl [(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate|propan-2-yl2-({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)acetate

Molecular Formula	C16H20N2O2S
Molecular Weight	304.12454 g/mol
LogP	3.26588
Topological Polar Surface Area	62.98 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	304.12454
Monoisotopic Mass	304.12454
Heavy Atoms	21
Complexity	564.1308

Chemical Identifiers

CAS Number	445384-85-0
SMILES	CC(C)OC(=O)CSC1=C(C=C2CCCCCC2=N1)C#N