ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V010-9785 |
| Compound Name: | ethyl 2-{[5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccco2)n1c1ccccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2495 |
| logD: | 4.249 |
| logSw: | -4.2194 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.646 |
| InChI Key: | DGIKSYHALJEYDB-KRWDZBQOSA-N |