N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | C592-0722 |
| Compound Name: | N-{[5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C25 H22 F N5 O3 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc(CNC(c2ccco2)=O)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2135 |
| logD: | 3.2135 |
| logSw: | -3.5442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.009 |
| InChI Key: | FAWDTDYZRJPOQG-UHFFFAOYSA-N |