N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide
N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | P769-0066 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 361.8 |
| Molecular Formula: | C17 H17 Cl F N5 O |
| Smiles: | CN(C)CCn1c2ccc(cc2nn1)C(Nc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6347 |
| logD: | 2.2332 |
| logSw: | -3.6115 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.174 |
| InChI Key: | CGMWHDZRPCAWSK-UHFFFAOYSA-N |