7-(azepane-1-carbonyl)-3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(azepane-1-carbonyl)-3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(azepane-1-carbonyl)-3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0396 |
| Compound Name: | 7-(azepane-1-carbonyl)-3-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.258 |
| logD: | 4.2574 |
| logSw: | -4.1904 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.468 |
| InChI Key: | FCQUQDBJHIZZBF-UHFFFAOYSA-N |