ethyl 4-{2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
ethyl 4-{2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C284-0245 |
| Compound Name: | ethyl 4-{2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H25 N5 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(C)CC2)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8971 |
| logD: | 1.4276 |
| logSw: | -2.8124 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.21 |
| InChI Key: | FJXJNRQEIAQXFX-UHFFFAOYSA-N |