N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D532-0419 |
| Compound Name: | N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C23 H24 F N5 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1CC=C)SCC(N1CCc2ccccc12)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9061 |
| logD: | 2.9061 |
| logSw: | -3.4715 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.208 |
| InChI Key: | MAWAJQQBLFAPJE-UHFFFAOYSA-N |