4-[(1-benzylpiperidin-4-yl)amino]-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(1-benzylpiperidin-4-yl)amino]-3-nitro-2H-1-benzopyran-2-one
4-[(1-benzylpiperidin-4-yl)amino]-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3950-0013 |
| Compound Name: | 4-[(1-benzylpiperidin-4-yl)amino]-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | C1CN(CCC1NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.967 |
| logD: | 1.5278 |
| logSw: | -3.7171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.159 |
| InChI Key: | BSKWFHNTZTVKQA-UHFFFAOYSA-N |