N-(4-fluorophenyl)-N-{[5-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-{[5-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
N-(4-fluorophenyl)-N-{[5-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | D532-0451 |
| Compound Name: | N-(4-fluorophenyl)-N-{[5-{[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C24 H24 F N5 O3 S2 |
| Smiles: | Cn1cc(C(CSc2nnc(CN(c3ccc(cc3)F)S(C)(=O)=O)n2CC=C)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.2949 |
| logD: | 3.2949 |
| logSw: | -3.6136 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.591 |
| InChI Key: | YDRBAZKOYJPFHM-UHFFFAOYSA-N |