methyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
methyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | V010-0583 |
| Compound Name: | methyl 2-{[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C16 H14 Cl N3 O3 S |
| Smiles: | CC(C(=O)OC)Sc1nnc(c2ccco2)n1c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6809 |
| logD: | 3.6808 |
| logSw: | -4.0495 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.736 |
| InChI Key: | ZCEKPEHOQRMBNP-JTQLQIEISA-N |