2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | 8013-7480 |
| Compound Name: | 2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Smiles: | CC(C(NCCc1ccc(c(c1)OC)OC)=O)Sc1nnc(Nc2ccccc2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0822 |
| logD: | 4.0822 |
| logSw: | -4.2616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.591 |
| InChI Key: | NNBUZYJCTIHHQY-IBGZPJMESA-N |