N-[3-(4-methylpiperidin-1-yl)propyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[3-(4-methylpiperidin-1-yl)propyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-[3-(4-methylpiperidin-1-yl)propyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5385 |
| Compound Name: | N-[3-(4-methylpiperidin-1-yl)propyl]-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CC1CCN(CCCNC(c2ccc(CN3C(c4cc5c(cc4NC3=S)OCO5)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.542 |
| logD: | 1.0817 |
| logSw: | -3.7879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.671 |
| InChI Key: | BAPMHFIZEXGSRF-UHFFFAOYSA-N |