methyl 4-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1)
methyl 4-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4358-8512 |
| Compound Name: | methyl 4-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 426.3 |
| Molecular Formula: | C22 H16 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | COC(c1ccc(cc1)Nc1c2ccccc2nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7061 |
| logD: | 6.6475 |
| logSw: | -6.5429 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.979 |
| InChI Key: | YFQGGEJMWACDMG-UHFFFAOYSA-N |