methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | G878-0228 |
| Compound Name: | methyl 2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H19 F N4 O2 S |
| Smiles: | CCC(C(=O)OC)Sc1nnc(c2c[nH]c3ccccc23)n1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7991 |
| logD: | 4.7991 |
| logSw: | -4.787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.029 |
| InChI Key: | PQRHSZWQVCTIMF-SFHVURJKSA-N |