3-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3577 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 521.08 |
| Molecular Formula: | C28 H29 Cl N4 O2 S |
| Smiles: | CCN(CCCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8194 |
| logD: | 5.7902 |
| logSw: | -5.7735 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.563 |
| InChI Key: | YEWOJXFCYYWRPI-UHFFFAOYSA-N |