N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Compound characteristics
| Compound ID: | K284-5310 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CCN(CCCNC(CCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4846 |
| logD: | 3.4254 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.715 |
| InChI Key: | QJACKNKJZKQFCX-UHFFFAOYSA-N |