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}furan-2-carboxamide
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}furan-2-carboxamide
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}furan-2-carboxamide
Compound characteristics
| Compound ID: | K400-10113 |
| 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}furan-2-carboxamide |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C28 H29 N5 O3 S |
| Smiles: | CCc1cccc(CC)c1n1c(CNC(c2ccco2)=O)nnc1SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6487 |
| logD: | 4.6487 |
| logSw: | -4.1932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.773 |
| InChI Key: | SAVDLNMILCFSOW-UHFFFAOYSA-N |