6,7-diethoxy-3-{3-[ethyl(phenyl)amino]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-{3-[ethyl(phenyl)amino]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-{3-[ethyl(phenyl)amino]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7335 |
| Compound Name: | 6,7-diethoxy-3-{3-[ethyl(phenyl)amino]propyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C23 H29 N3 O3 S |
| Smiles: | CCN(CCCN1C(c2cc(c(cc2NC1=S)OCC)OCC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0187 |
| logD: | 3.9785 |
| logSw: | -3.9905 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.707 |
| InChI Key: | XQSMZJAEGIRKDQ-UHFFFAOYSA-N |