1-{6-methyl-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-methyl-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl}ethan-1-one
1-{6-methyl-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8015-2337 |
| Compound Name: | 1-{6-methyl-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1-phenyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl}ethan-1-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | CC1=C(C(=NC(N1c1ccccc1)=S)N1CCN(CC1)C(C1CCCO1)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9446 |
| logD: | 0.9372 |
| logSw: | -1.8687 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.562 |
| InChI Key: | JLTUVXRREGKHGO-SFHVURJKSA-N |