N-(4-fluorophenyl)-N-{[5-{[2-(morpholin-4-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-(morpholin-4-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-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | D532-0411 |
| Compound Name: | N-(4-fluorophenyl)-N-{[5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C19 H24 F N5 O4 S2 |
| Smiles: | CS(N(Cc1nnc(n1CC=C)SCC(N1CCOCC1)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9113 |
| logD: | 0.9113 |
| logSw: | -2.1159 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.086 |
| InChI Key: | FTXLWCKNZXNBSP-UHFFFAOYSA-N |