3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}quinazoline-2,4(1H,3H)-dione
3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | K221-2391 |
| Compound Name: | 3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 409.4 |
| Molecular Formula: | C20 H19 N5 O5 |
| Smiles: | C1CN(CCN1C(CN1C(c2ccccc2NC1=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.061 |
| logD: | 2.0606 |
| logSw: | -3.0712 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.515 |
| InChI Key: | HHZWLGXNPJORPQ-UHFFFAOYSA-N |