N-[(2-chlorophenyl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
N-[(2-chlorophenyl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
Compound characteristics
| Compound ID: | C260-2089 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydroquinazolin-3(2H)-yl}pentanamide |
| Molecular Weight: | 588.11 |
| Molecular Formula: | C32 H34 Cl N5 O4 |
| Smiles: | C(CCN1C(c2ccccc2N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)=O)CC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5243 |
| logD: | 3.5242 |
| logSw: | -3.9116 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.369 |
| InChI Key: | JNOBJQKPCFSTNJ-UHFFFAOYSA-N |