N-(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
N-(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | K401-1899 |
| Compound Name: | N-(5-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 494.34 |
| Molecular Formula: | C17 H12 Br N5 O4 S2 |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6471 |
| logD: | 4.5816 |
| logSw: | -4.7037 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.495 |
| InChI Key: | WFLMKNOPYYWJCM-UHFFFAOYSA-N |