ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V008-9929 |
| Compound Name: | ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 405.9 |
| Molecular Formula: | C19 H20 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccco2)n1c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0814 |
| logD: | 5.0814 |
| logSw: | -5.2328 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.316 |
| InChI Key: | YZWMSEVNTGZMBQ-INIZCTEOSA-N |