3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7321 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H20 N2 O5 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.202 |
| logD: | 3.1949 |
| logSw: | -3.4151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.854 |
| InChI Key: | SYBHPDLUDPXILS-UHFFFAOYSA-N |