7-(azepane-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(azepane-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(azepane-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0152 |
| Compound Name: | 7-(azepane-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | COCCN1C(c2ccc(cc2NC1=S)C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1218 |
| logD: | 2.1213 |
| logSw: | -3.1761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.89 |
| InChI Key: | AWCJETZWUKCGQJ-UHFFFAOYSA-N |