N-(3-chlorophenyl)-4-{6-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,6-dihydropyrimidin-2-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-{6-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,6-dihydropyrimidin-2-yl}piperazine-1-carboxamide
N-(3-chlorophenyl)-4-{6-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,6-dihydropyrimidin-2-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V013-6201 |
| Compound Name: | N-(3-chlorophenyl)-4-{6-oxo-4-[(4-phenylpiperazin-1-yl)methyl]-1,6-dihydropyrimidin-2-yl}piperazine-1-carboxamide |
| Molecular Weight: | 508.02 |
| Molecular Formula: | C26 H30 Cl N7 O2 |
| Smiles: | C1CN(CCN1CC1=CC(NC(=N1)N1CCN(CC1)C(Nc1cccc(c1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0578 |
| logD: | 1.5563 |
| logSw: | -3.4493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.633 |
| InChI Key: | BWUSPUOECBDAGX-UHFFFAOYSA-N |