2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K784-1991 |
| Compound Name: | 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide |
| Molecular Weight: | 328.73 |
| Molecular Formula: | C10 H9 Cl N6 O3 S |
| Smiles: | C(C(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)Sc1nc(N)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.395 |
| logD: | 1.2938 |
| logSw: | -2.7593 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.045 |
| InChI Key: | DOUBJBLQSYJMTL-UHFFFAOYSA-N |