N-(2,4-dimethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
N-(2,4-dimethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-6315 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 383.43 |
| Molecular Formula: | C18 H17 N5 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc(c2cccc(c2)[N+]([O-])=O)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8007 |
| logD: | 3.0428 |
| logSw: | -3.7751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.307 |
| InChI Key: | UGOVGVNQOLBFKU-UHFFFAOYSA-N |