N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(4-oxo-3-phenyl-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-phenyl-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-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 6850-0113 |
| Compound Name: | N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C27 H23 N5 O2 S3 |
| Smiles: | Cc1ccccc1c1nc(NC(CSC2=Nc3c(C(N2c2ccccc2)=O)c2CCCCc2s3)=O)ns1 |
| Stereo: | ACHIRAL |
| logP: | 5.9773 |
| logD: | 5.9773 |
| logSw: | -5.4358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.813 |
| InChI Key: | XONGHFRVGDQTKC-UHFFFAOYSA-N |