3-[3-(azepan-1-yl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[3-(azepan-1-yl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7547 |
| Compound Name: | 3-[3-(azepan-1-yl)-3-oxopropyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CCOc1cc2C(N(CCC(N3CCCCCC3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4154 |
| logD: | 2.3885 |
| logSw: | -3.0743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.44 |
| InChI Key: | CWDWOLZGLOXBMN-UHFFFAOYSA-N |