3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0506 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-(3-methylpiperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Smiles: | CC1CCCN(C1)C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3371 |
| logD: | 4.3369 |
| logSw: | -4.556 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.9 |
| InChI Key: | AAPNZGSYXPPZHU-AWEZNQCLSA-N |