N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-chlorobenzamide
Chemical Structure Depiction of
N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-chlorobenzamide
N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-chlorobenzamide
Compound characteristics
| Compound ID: | D524-1613 |
| Compound Name: | N-{1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-chlorobenzamide |
| Molecular Weight: | 434.68 |
| Molecular Formula: | C17 H13 Br Cl N5 O2 |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)n1cnc(NC(c2ccc(cc2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9013 |
| logD: | 3.2016 |
| logSw: | -4.4733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.701 |
| InChI Key: | KUJLFPMWDBCRTN-UHFFFAOYSA-N |