3-[6-(azepan-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[6-(azepan-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[6-(azepan-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1236 |
| Compound Name: | 3-[6-(azepan-1-yl)-6-oxohexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C20 H27 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(CCCCCN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5601 |
| logD: | 3.559 |
| logSw: | -3.7699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.02 |
| InChI Key: | MYPIQIJBPFRRPK-UHFFFAOYSA-N |