2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
Chemical Structure Depiction of
2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | 8015-0930 |
| Compound Name: | 2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C15 H20 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(C(C)Sc1nnc(C)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9795 |
| logD: | 1.9795 |
| logSw: | -2.6218 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.586 |
| InChI Key: | BMVONXNWKWLFDZ-JTQLQIEISA-N |