4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K284-5393 |
| Compound Name: | 4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | C1CCN(C1)CCCNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7871 |
| logD: | -0.2454 |
| logSw: | -3.468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.037 |
| InChI Key: | IEEXRBWMDBGMGQ-UHFFFAOYSA-N |