4-(3-methylpiperidin-1-yl)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(3-methylpiperidin-1-yl)-3-nitro-2H-1-benzopyran-2-one
4-(3-methylpiperidin-1-yl)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2594-0093 |
| Compound Name: | 4-(3-methylpiperidin-1-yl)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C15 H16 N2 O4 |
| Smiles: | CC1CCCN(C1)C1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8888 |
| logD: | 2.8888 |
| logSw: | -3.5829 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.764 |
| InChI Key: | KVHMPRDQCUDRKR-JTQLQIEISA-N |