N-(4-methylphenyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0843 |
| Compound Name: | N-(4-methylphenyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C22 H23 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(SCC(N2CCN(CC2)c2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7946 |
| logD: | 3.7946 |
| logSw: | -3.8041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.576 |
| InChI Key: | LQIYHMCDGBKPAC-UHFFFAOYSA-N |