N-[(adamantan-1-yl)methyl]-6,8-dichloro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-6,8-dichloro-2-oxo-2H-1-benzopyran-3-carboxamide
N-[(adamantan-1-yl)methyl]-6,8-dichloro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8016-8194 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-6,8-dichloro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 406.31 |
| Molecular Formula: | C21 H21 Cl2 N O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)CNC(C1=Cc2cc(cc(c2OC1=O)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6087 |
| logD: | 5.6087 |
| logSw: | -6.0532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.291 |
| InChI Key: | ITWVLPITIBOHNS-UHFFFAOYSA-N |