ethyl 4-[4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanoyl]piperazine-1-carboxylate
ethyl 4-[4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K284-5242 |
| Compound Name: | ethyl 4-[4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C20 H24 N4 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4846 |
| logD: | 1.4628 |
| logSw: | -2.5805 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.584 |
| InChI Key: | VCUHPXZXFNZXNE-UHFFFAOYSA-N |