1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0297 |
| Compound Name: | 1-{2-[(4-bromo-3-methylphenyl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 445.32 |
| Molecular Formula: | C19 H21 Br N6 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(NCCn1c2ccc(cc2nn1)C(N(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0185 |
| logD: | 2.0184 |
| logSw: | -2.6527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.382 |
| InChI Key: | ZGSZRUQOFAXOPK-UHFFFAOYSA-N |