3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6187 |
| Compound Name: | 3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C27 H32 N4 O2 S |
| Smiles: | C1CC(CCC1CN1C(c2ccccc2NC1=S)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4438 |
| logD: | 4.3909 |
| logSw: | -4.3884 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.699 |
| InChI Key: | LHFZBVYXOHYAHF-UHFFFAOYSA-N |