1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | V004-1243 |
| Compound Name: | 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(3-nitrophenyl)quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 451.44 |
| Molecular Formula: | C22 H21 N5 O6 |
| Smiles: | CC(N1CCN(CC1)C(CN1C(N(C(c2ccccc12)=O)c1cccc(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3479 |
| logD: | 0.3479 |
| logSw: | -2.4019 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.625 |
| InChI Key: | MYBWDNLLHBOCJC-UHFFFAOYSA-N |