6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C592-2289 |
| Compound Name: | 6-{[4-(4-fluorophenyl)-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C19 H19 F N6 O4 S |
| Smiles: | C(C1=CC(NC(N1)=O)=O)c1nnc(n1c1ccc(cc1)F)SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1386 |
| logD: | -0.3109 |
| logSw: | -2.267 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.278 |
| InChI Key: | CLDKKHUNYFSMKV-UHFFFAOYSA-N |