ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V014-3611 |
| Compound Name: | ethyl 2-{[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 333.45 |
| Molecular Formula: | C17 H23 N3 O2 S |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(C)n1c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8419 |
| logD: | 3.8418 |
| logSw: | -3.7958 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.786 |
| InChI Key: | XEYJRJCRCGZEDX-HNNXBMFYSA-N |