N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-0442 |
| Compound Name: | N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C26 H22 F N5 O2 S |
| Smiles: | C1CN(C(CSc2nnc(CNC(c3ccccc3)=O)n2c2ccc(cc2)F)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.6169 |
| logD: | 3.6169 |
| logSw: | -3.7857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.797 |
| InChI Key: | CKINWSDSOZDAKC-UHFFFAOYSA-N |