3-[(4-chlorophenyl)methyl]-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3449 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 582.55 |
| Molecular Formula: | C29 H29 Cl2 N5 O2 S |
| Smiles: | C(CNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1803 |
| logD: | 4.6364 |
| logSw: | -5.4793 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.816 |
| InChI Key: | QZZRHEKXWZWCTR-UHFFFAOYSA-N |