3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0686 |
| Compound Name: | 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C27 H25 N3 O2 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7509 |
| logD: | 4.7451 |
| logSw: | -4.7961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.083 |
| InChI Key: | RZOZJLFVPAPUAE-UHFFFAOYSA-N |