dimethyl 3-methyl-5-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate

Chemical Structure Depiction of
dimethyl 3-methyl-5-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
Available: 102 mg
Amount:
mg
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Compound characteristics

Compound ID: 4112-4170
Compound Name: dimethyl 3-methyl-5-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
Molecular Weight: 547.67
Molecular Formula: C24 H25 N3 O6 S3
Smiles: Cc1c(C(=O)OC)c(NC(CSC2=Nc3c(C(N2CC=C)=O)c2CCCCc2s3)=O)sc1C(=O)OC
Stereo: ACHIRAL
logP: 4.1375
logD: 2.4821
logSw: -4.2344
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 1
Polar surface area: 91.135
InChI Key: AGAOKMRCMRTKSM-UHFFFAOYSA-N
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