N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-7636 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 492.68 |
| Molecular Formula: | C28 H36 N4 O2 S |
| Smiles: | CCN(CCCNC(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6031 |
| logD: | 5.5697 |
| logSw: | -5.2888 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.755 |
| InChI Key: | RVPKZXGFCOLVTP-UHFFFAOYSA-N |