N-{[4-(2,6-diethylphenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[4-(2,6-diethylphenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[4-(2,6-diethylphenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | K400-03953 |
| Compound Name: | N-{[4-(2,6-diethylphenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 593.67 |
| Molecular Formula: | C31 H30 F3 N5 O2 S |
| Smiles: | CCc1cccc(CC)c1n1c(CNC(c2ccccc2C(F)(F)F)=O)nnc1SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1628 |
| logD: | 6.1461 |
| logSw: | -5.4887 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.195 |
| InChI Key: | YWNVUCOQUKOOFZ-UHFFFAOYSA-N |