N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
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}thiophene-2-carboxamide
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C592-3471 |
| 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}thiophene-2-carboxamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C24 H20 F N5 O2 S2 |
| Smiles: | C1CN(C(CSc2nnc(CNC(c3cccs3)=O)n2c2ccc(cc2)F)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.5569 |
| logD: | 3.5569 |
| logSw: | -3.7503 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.815 |
| InChI Key: | IUFPIEOBADYLHU-UHFFFAOYSA-N |