ethyl 4-[2-{[4-(butan-2-yl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[2-{[4-(butan-2-yl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
ethyl 4-[2-{[4-(butan-2-yl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0526 |
| Compound Name: | ethyl 4-[2-{[4-(butan-2-yl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H31 N5 O5 |
| Smiles: | CCC(C)N1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1ccc(cc1)C(=O)OCC)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1697 |
| logD: | 2.2846 |
| logSw: | -3.4694 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.182 |
| InChI Key: | HZBBZZYJPIWLGC-SFHVURJKSA-N |