N-[2-(4-methylpiperidin-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Chemical Structure Depiction of
N-[2-(4-methylpiperidin-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-[2-(4-methylpiperidin-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-5145 |
| Compound Name: | N-[2-(4-methylpiperidin-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C23 H32 N4 O4 S |
| Smiles: | CC1CCN(CC1)CCNC(CCCCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6625 |
| logD: | 1.072 |
| logSw: | -3.224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.707 |
| InChI Key: | RDMZEZDCZGWAMN-UHFFFAOYSA-N |