4-(4-methylpiperazin-1-yl)-3,6-dinitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(4-methylpiperazin-1-yl)-3,6-dinitro-2H-1-benzopyran-2-one
4-(4-methylpiperazin-1-yl)-3,6-dinitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4333-0106 |
| Compound Name: | 4-(4-methylpiperazin-1-yl)-3,6-dinitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 334.29 |
| Molecular Formula: | C14 H14 N4 O6 |
| Smiles: | CN1CCN(CC1)C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4224 |
| logD: | 1.3621 |
| logSw: | -2.2827 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.688 |
| InChI Key: | LZVAAFLJHXHOLE-UHFFFAOYSA-N |