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)methyl]benzamide
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)methyl]benzamide
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)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5391 |
| 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)methyl]benzamide |
| Molecular Weight: | 530.65 |
| Molecular Formula: | C29 H30 N4 O4 S |
| Smiles: | CCN(CCCNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9977 |
| logD: | 4.9622 |
| logSw: | -4.4891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.678 |
| InChI Key: | TTWUNMGMTJVYML-UHFFFAOYSA-N |