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 |