N-[(adamantan-1-yl)methyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
N-[(adamantan-1-yl)methyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-7344 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C23 H25 Cl N2 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)CNC(c1ccc(COc2cc(ccc2[Cl])[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0582 |
| logD: | 6.0582 |
| logSw: | -6.3619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.222 |
| InChI Key: | DBXLAEAQJPHXHB-UHFFFAOYSA-N |