N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-5232 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CCN(CCCNC(CCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2314 |
| logD: | 3.1772 |
| logSw: | -3.3814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.715 |
| InChI Key: | CZKPJIIKPSTQKM-UHFFFAOYSA-N |