5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1982 |
| Compound Name: | 5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.81 |
| Molecular Formula: | C18 H16 Cl F N6 O2 |
| Smiles: | Cc1ccc(cc1)NC(Cn1c(c(C(Nc2ccc(c(c2)[Cl])F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8423 |
| logD: | 2.8221 |
| logSw: | -3.3622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.437 |
| InChI Key: | PSMJBIISANGHFT-UHFFFAOYSA-N |