N-[3-(azepan-1-yl)propyl]-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-[3-(azepan-1-yl)propyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-[3-(azepan-1-yl)propyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-5157 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C24 H34 N4 O4 S |
| Smiles: | C1CCCN(CC1)CCCNC(CCCCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8911 |
| logD: | 0.2624 |
| logSw: | -3.4035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.038 |
| InChI Key: | BUMITZSEWGLDTC-UHFFFAOYSA-N |