N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K221-3230 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 538.09 |
| Molecular Formula: | C29 H36 Cl N5 O3 |
| Smiles: | C(CNC(C1CCC(CC1)CN1C(c2ccccc2NC1=O)=O)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5504 |
| logD: | 3.9642 |
| logSw: | -4.5537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.17 |
| InChI Key: | LPRLNEJQQDOXHE-UHFFFAOYSA-N |