N-(4-bromo-3-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-(4-bromo-3-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0918 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 373.25 |
| Molecular Formula: | C17 H17 Br N4 O |
| Smiles: | CC(C)n1c2ccc(cc2nn1)C(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.117 |
| logD: | 4.1137 |
| logSw: | -4.2312 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.495 |
| InChI Key: | VBJUEPHWCOJYMU-UHFFFAOYSA-N |