N-(4-fluorophenyl)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
N-(4-fluorophenyl)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
Compound characteristics
| Compound ID: | D532-0502 |
| Compound Name: | N-(4-fluorophenyl)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C22 H24 F N5 O4 S2 |
| Smiles: | CS(N(Cc1nnc(n1c1ccccc1)SCC(N1CCOCC1)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4235 |
| logD: | 1.4235 |
| logSw: | -2.2772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.579 |
| InChI Key: | RDWSUUDWAJERQB-UHFFFAOYSA-N |