N-{2-[(adamantan-1-yl)oxy]ethyl}-2-methyl-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-2-methyl-5-nitrobenzene-1-sulfonamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-2-methyl-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8012-7986 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-2-methyl-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C19 H26 N2 O5 S |
| Smiles: | Cc1ccc(cc1S(NCCOC12CC3CC(CC(C3)C2)C1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5512 |
| logD: | 4.5511 |
| logSw: | -4.3524 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.48 |
| InChI Key: | KRTBSAPNDXTNMU-UHFFFAOYSA-N |