N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V009-3018 |
| Compound Name: | N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 462.39 |
| Molecular Formula: | C19 H16 Br N3 O2 S2 |
| Salt: | not_available |
| Smiles: | C(Cc1ccccc1)C(Nc1nnc(SCC(c2ccc(cc2)[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.125 |
| logD: | 5.1191 |
| logSw: | -5.484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.998 |
| InChI Key: | PNHSVRCZZGJXER-UHFFFAOYSA-N |