N-(adamantan-1-yl)-5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-carboxamide
N-(adamantan-1-yl)-5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-1060 |
| Compound Name: | N-(adamantan-1-yl)-5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C22 H23 Cl N2 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)NC(c1ccc(COc2ccc(cc2[N+]([O-])=O)[Cl])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1582 |
| logD: | 5.1582 |
| logSw: | -5.7215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.584 |
| InChI Key: | NYOLDTNZXBODDV-UHFFFAOYSA-N |