AC1LCXTI

2-[(11-ethyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanoic acid

Also Known As: Oprea1_172408|SR-01000000694-2|2-((3-ethyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoic acid|2-[(3-ethyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid|2-[(2-ethyl-1-keto-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]propionic acid|2-[(2-ethyl-1-oxidanylidene-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]propanoic acid|2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)sulfanyl]propanoic acid|2-[(2-ethyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]propanoic acid

Molecular Formula	C14H16N2O3S2
Molecular Weight	324.06024 g/mol
LogP	2.9
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	324.06024
Monoisotopic Mass	324.06024
Heavy Atoms	21
Complexity	497.0

Chemical Identifiers

CAS Number	369607-52-3
SMILES	CCN1C(=O)C2=C(N=C1SC(C)C(=O)O)SC3=C2CCC3
InChIKey	BWDMSMJXEZXAPE-UHFFFAOYSA-N