ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V005-7156 |
| Compound Name: | ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccc(c(c2)OC)OC)n1c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.569 |
| logD: | 5.569 |
| logSw: | -5.4021 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.999 |
| InChI Key: | XVUABYHFXBHKLQ-NRFANRHFSA-N |