N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8016-8193 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C22 H24 N2 O6 |
| Smiles: | COc1cc(cc2C=C(C(NCC34CC5CC(CC(C5)C4)C3)=O)C(=O)Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1862 |
| logD: | 4.1862 |
| logSw: | -4.5044 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.303 |
| InChI Key: | VBVSWTNTQURHAB-UHFFFAOYSA-N |