N-(3-bromophenyl)-1-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-1-methyl-1H-benzotriazole-5-carboxamide
N-(3-bromophenyl)-1-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F058-0233 |
| Compound Name: | N-(3-bromophenyl)-1-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 331.17 |
| Molecular Formula: | C14 H11 Br N4 O |
| Smiles: | Cn1c2ccc(cc2nn1)C(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.782 |
| logD: | 2.776 |
| logSw: | -3.4226 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.313 |
| InChI Key: | HRNJQEQHIDNHAK-UHFFFAOYSA-N |