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
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
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 |