3-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3184 |
| Compound Name: | 3-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C23 H31 N3 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.979 |
| logD: | 4.9779 |
| logSw: | -4.5521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.025 |
| InChI Key: | LSWNFIYKCYVERM-UHFFFAOYSA-N |