7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0565 |
| Compound Name: | 7-(azepane-1-carbonyl)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | C1CCCN(CC1)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7741 |
| logD: | 3.7739 |
| logSw: | -3.9741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.413 |
| InChI Key: | HKXGSMIRVBFJPX-UHFFFAOYSA-N |