N-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide
N-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-1361 |
| Compound Name: | N-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-1-cyclopentyl-N-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C21 H21 Cl F N5 O2 |
| Smiles: | CN(CC(Nc1ccc(cc1[Cl])F)=O)C(c1ccc2c(c1)nnn2C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0459 |
| logD: | 3.0373 |
| logSw: | -3.5506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.602 |
| InChI Key: | IQMRBTHYZDLUHD-UHFFFAOYSA-N |