methyl 2-(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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-(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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3993-1735 |
| Compound Name: | methyl 2-(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)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C24 H25 N3 O4 S3 |
| Smiles: | COC(c1c2CCCc2sc1NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6789 |
| logD: | 2.8278 |
| logSw: | -4.4502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.248 |
| InChI Key: | NLAGWDWYYQPDAZ-UHFFFAOYSA-N |