3-[3-(azepan-1-yl)propyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)propyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[3-(azepan-1-yl)propyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7381 |
| Compound Name: | 3-[3-(azepan-1-yl)propyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | CCOc1cc2C(N(CCCN3CCCCCC3)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1109 |
| logD: | 0.6884 |
| logSw: | -3.3105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.03 |
| InChI Key: | VOVMUZPRAKJBCR-UHFFFAOYSA-N |