4-bromo-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide
Chemical Structure Depiction of
4-bromo-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide
4-bromo-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | 1502-0524 |
| Compound Name: | 4-bromo-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}benzamide |
| Molecular Weight: | 418.27 |
| Molecular Formula: | C17 H12 Br N3 O3 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)c1cnc(NC(c2ccc(cc2)[Br])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2085 |
| logD: | 4.899 |
| logSw: | -5.3818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.008 |
| InChI Key: | BSTNDTFEBXYPQF-UHFFFAOYSA-N |