N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0132 |
| Compound Name: | N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C18 H18 Br N5 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(CN(C)C(c1ccc2c(c1)nnn2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3567 |
| logD: | 2.3566 |
| logSw: | -2.8387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.522 |
| InChI Key: | PYDJJKSWLAJNLQ-UHFFFAOYSA-N |