ethyl 4-[2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
ethyl 4-[2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0101 |
| Compound Name: | ethyl 4-[2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C24 H27 N5 O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(CC2)CCO)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4388 |
| logD: | 1.317 |
| logSw: | -2.3409 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.179 |
| InChI Key: | LAAZOGLWXIXKOW-UHFFFAOYSA-N |