7-(4,4-dimethoxypiperidine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(4,4-dimethoxypiperidine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(4,4-dimethoxypiperidine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0754 |
| Compound Name: | 7-(4,4-dimethoxypiperidine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(N1CCC(CC1)(OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.698 |
| logD: | 2.6978 |
| logSw: | -3.3251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.647 |
| InChI Key: | NYFAEVHAJOIVMK-UHFFFAOYSA-N |