3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061173 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(N2CCOCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2307 |
| logD: | 2.2305 |
| logSw: | -3.1514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.418 |
| InChI Key: | QJIYTPMCZLSUTF-UHFFFAOYSA-N |