3-[4-(azepan-1-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(azepan-1-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[4-(azepan-1-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7394 |
| Compound Name: | 3-[4-(azepan-1-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | CCOc1cc2C(N(CCCC(N3CCCCCC3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4216 |
| logD: | 2.3998 |
| logSw: | -3.0752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.44 |
| InChI Key: | JCPLZRYIOAYJPX-UHFFFAOYSA-N |