ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V013-9548 |
| Compound Name: | ethyl 2-{[5-(3,5-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2cc(cc(c2)OC)OC)n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7438 |
| logD: | 4.7438 |
| logSw: | -4.4964 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.332 |
| InChI Key: | AZEBLFIKLWCPAX-KRWDZBQOSA-N |