N-{3-[ethyl(phenyl)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(phenyl)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(phenyl)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: | K284-5231 |
| Compound Name: | N-{3-[ethyl(phenyl)amino]propyl}-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CCN(CCCNC(CCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7888 |
| logD: | 2.7378 |
| logSw: | -3.4956 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.715 |
| InChI Key: | HZMBJJGVSPDKLZ-UHFFFAOYSA-N |