N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | G851-0928 |
| Compound Name: | N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-methyl-1-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 403.84 |
| Molecular Formula: | C19 H19 Cl F N5 O2 |
| Smiles: | CC(C)n1c2ccc(cc2nn1)C(N(C)CC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8807 |
| logD: | 2.8722 |
| logSw: | -3.5813 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.704 |
| InChI Key: | MAIHDBAPOQKZIW-UHFFFAOYSA-N |