2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethyl-6-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethyl-6-nitrophenyl)acetamide
2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethyl-6-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8017-9669 |
| Compound Name: | 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethyl-6-nitrophenyl)acetamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C20 H22 N6 O5 S |
| Smiles: | Cc1cc(C)c(c(c1)[N+]([O-])=O)NC(CSc1nnc(c2ccc(c(c2)OC)OC)n1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3986 |
| logD: | 2.3711 |
| logSw: | -2.8398 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.234 |
| InChI Key: | SRJRQZVAJKSCCH-UHFFFAOYSA-N |