7-(3,3-diethoxypropyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-(3,3-diethoxypropyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-(3,3-diethoxypropyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-4991 |
| Compound Name: | 7-(3,3-diethoxypropyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C16 H20 N2 O5 S |
| Smiles: | CCOC(CCN1C(c2cc3c(cc2NC1=S)OCO3)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.3488 |
| logD: | 2.3269 |
| logSw: | -2.9783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.337 |
| InChI Key: | MBXRJLLKVRBNJV-UHFFFAOYSA-N |