ethyl 2-(2-{[7-methyl-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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[7-methyl-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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-(2-{[7-methyl-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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 4112-4166 |
Compound Name: | ethyl 2-(2-{[7-methyl-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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
Molecular Weight: | 543.73 |
Molecular Formula: | C26 H29 N3 O4 S3 |
Smiles: | CCOC(c1c2CCCc2sc1NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCC(C)Cc1s2)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4952 |
logD: | 3.6441 |
logSw: | -5.3079 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.828 |
InChI Key: | BCXOFZOJKLYWSA-CQSZACIVSA-N |