ethyl 4-[2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
ethyl 4-[2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0035 |
| Compound Name: | ethyl 4-[2-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 548 |
| Molecular Formula: | C28 H26 Cl N5 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(CC2)c2ccc(cc2)[Cl])=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4306 |
| logD: | 4.4306 |
| logSw: | -4.5744 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.994 |
| InChI Key: | WPVCPGIZJPTLAU-UHFFFAOYSA-N |