7-(4-benzylpiperidine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(4-benzylpiperidine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(4-benzylpiperidine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0574 |
| Compound Name: | 7-(4-benzylpiperidine-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | COCCN1C(c2ccc(cc2NC1=S)C(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5968 |
| logD: | 3.5962 |
| logSw: | -3.9676 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.287 |
| InChI Key: | IORYBUDPMRBNFR-UHFFFAOYSA-N |