N-[(adamantan-1-yl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[(adamantan-1-yl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8014-1142 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)CNC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2072 |
| logD: | 4.2072 |
| logSw: | -4.6266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.988 |
| InChI Key: | DBEBAWRSMMLPGM-UHFFFAOYSA-N |