5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0416 |
| Compound Name: | 5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C18 H15 Cl N4 O2 S2 |
| Smiles: | C(c1ccccc1)NC(CSc1nnc(C(Nc2ccc(cc2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7492 |
| logD: | 3.7484 |
| logSw: | -4.4216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.395 |
| InChI Key: | ZBHODUDAUYQYSL-UHFFFAOYSA-N |