N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-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}acetamide
Chemical Structure Depiction of
N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-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}acetamide
N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-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}acetamide
Compound characteristics
| Compound ID: | 6850-0115 |
| Compound Name: | N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-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}acetamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C24 H23 N5 O2 S3 |
| Smiles: | Cc1ccccc1c1nc(NC(CSC2=Nc3c(C(N2CC=C)=O)c2CCCCc2s3)=O)ns1 |
| Stereo: | ACHIRAL |
| logP: | 5.4562 |
| logD: | 5.4562 |
| logSw: | -5.3009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.674 |
| InChI Key: | WANWQEXXRWMTKL-UHFFFAOYSA-N |