1-{2-[(3-chloro-4-fluorophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(3-chloro-4-fluorophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide
1-{2-[(3-chloro-4-fluorophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0521 |
| Compound Name: | 1-{2-[(3-chloro-4-fluorophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C21 H22 Cl F N6 O2 |
| Smiles: | C1CCC(C1)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4357 |
| logD: | 3.4345 |
| logSw: | -4.0142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.886 |
| InChI Key: | ZTOAVVCWAOWVKX-UHFFFAOYSA-N |