N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0525 |
| Compound Name: | N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 430.3 |
| Molecular Formula: | C19 H20 Br N5 O2 |
| Smiles: | CCn1c2ccc(cc2nn1)C(N(C)CC(Nc1ccc(c(C)c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7185 |
| logD: | 2.7185 |
| logSw: | -2.8467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.961 |
| InChI Key: | ZQBCLQQIFBPUIQ-UHFFFAOYSA-N |