N-{2-[butyl(methyl)amino]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-[butyl(methyl)amino]ethyl}-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-{2-[butyl(methyl)amino]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: | K284-5146 |
| Compound Name: | N-{2-[butyl(methyl)amino]ethyl}-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | CCCCN(C)CCNC(CCCCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6005 |
| logD: | 0.9326 |
| logSw: | -3.1402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.069 |
| InChI Key: | BTAKWAKEILTQNJ-UHFFFAOYSA-N |