ethyl 4-[2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
ethyl 4-[2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0401 |
| Compound Name: | ethyl 4-[2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 531.52 |
| Molecular Formula: | C27 H25 N5 O7 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(CC2)C(c2ccco2)=O)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2872 |
| logD: | 2.2872 |
| logSw: | -3.0045 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.768 |
| InChI Key: | HJSAUUXTZUELGD-UHFFFAOYSA-N |