ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V010-9898 |
| Compound Name: | ethyl 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C19 H25 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2cccc(C)c2)n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1461 |
| logD: | 5.1461 |
| logSw: | -5.019 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.244 |
| InChI Key: | KHQUCMHMEXVJIQ-INIZCTEOSA-N |