N-{3-[ethyl(3-methylphenyl)amino]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-[ethyl(3-methylphenyl)amino]propyl}-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-{3-[ethyl(3-methylphenyl)amino]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: | K284-5154 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C27 H34 N4 O4 S |
| Smiles: | CCN(CCCNC(CCCCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2414 |
| logD: | 4.1873 |
| logSw: | -4.036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.715 |
| InChI Key: | GLCMEICRKRZKTI-UHFFFAOYSA-N |