ethyl 4-[6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
ethyl 4-[6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0520 |
| Compound Name: | ethyl 4-[6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C27 H33 N5 O5 |
| Smiles: | CCC(CC)N1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1ccc(cc1)C(=O)OCC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5601 |
| logD: | 2.6588 |
| logSw: | -3.7811 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.767 |
| InChI Key: | XTJAHJAFRXAQHP-UHFFFAOYSA-N |