2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8018-7208 |
| Compound Name: | 2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COCc1nnc(n1c1cccc2ccccc12)SCC(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4597 |
| logD: | 3.4498 |
| logSw: | -3.7221 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.344 |
| InChI Key: | FGGIQRNCBSEHSA-UHFFFAOYSA-N |