N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8016-5636 |
| Compound Name: | N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C22 H21 N5 O2 S3 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(Nc1nnc(Cc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2612 |
| logD: | 4.2544 |
| logSw: | -4.4874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.549 |
| InChI Key: | ZSWLEMHOXATOMK-UHFFFAOYSA-N |