5-(3-chloroanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(3-chloroanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-(3-chloroanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0386 |
| Compound Name: | 5-(3-chloroanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 359.83 |
| Molecular Formula: | C16 H14 Cl N5 O S |
| Smiles: | CSc1cccc(c1)NC(c1c(Nc2cccc(c2)[Cl])[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9181 |
| logD: | 3.8522 |
| logSw: | -4.2383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.555 |
| InChI Key: | CKYUCFMLJKWBPS-UHFFFAOYSA-N |