N-[(1H-benzotriazol-1-yl)methyl]-2-bromo-4-methylaniline
Chemical Structure Depiction of
N-[(1H-benzotriazol-1-yl)methyl]-2-bromo-4-methylaniline
N-[(1H-benzotriazol-1-yl)methyl]-2-bromo-4-methylaniline
Compound characteristics
| Compound ID: | 1683-0091 |
| Compound Name: | N-[(1H-benzotriazol-1-yl)methyl]-2-bromo-4-methylaniline |
| Molecular Weight: | 317.19 |
| Molecular Formula: | C14 H13 Br N4 |
| Smiles: | Cc1ccc(c(c1)[Br])NCn1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6293 |
| logD: | 3.6293 |
| logSw: | -3.7066 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.126 |
| InChI Key: | JHDHIHLMEIIWTA-UHFFFAOYSA-N |