4-(4-methylpiperazin-1-yl)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(4-methylpiperazin-1-yl)-3-nitro-2H-1-benzopyran-2-one
4-(4-methylpiperazin-1-yl)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0035 |
| Compound Name: | 4-(4-methylpiperazin-1-yl)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 289.29 |
| Molecular Formula: | C14 H15 N3 O4 |
| Smiles: | CN1CCN(CC1)C1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4844 |
| logD: | 1.4241 |
| logSw: | -2.1247 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.307 |
| InChI Key: | YENAYOJVUHVETP-UHFFFAOYSA-N |