ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V006-3663 |
| Compound Name: | ethyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(c2ccco2)n1c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1219 |
| logD: | 4.1218 |
| logSw: | -4.3436 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.316 |
| InChI Key: | MDJWWWVMQQZWDS-NSHDSACASA-N |