N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Compound characteristics
| Compound ID: | D532-0229 |
| Compound Name: | N-(4-fluorophenyl)-N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C17 H22 F N5 O4 S2 |
| Smiles: | Cn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0849 |
| logD: | 0.0849 |
| logSw: | -2.0407 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.917 |
| InChI Key: | LEYWZBCDEXWWJE-UHFFFAOYSA-N |