N-[2-(adamantan-1-yl)ethyl]-2-(morpholin-4-yl)-5-nitrobenzamide
Chemical Structure Depiction of
N-[2-(adamantan-1-yl)ethyl]-2-(morpholin-4-yl)-5-nitrobenzamide
N-[2-(adamantan-1-yl)ethyl]-2-(morpholin-4-yl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | 8012-5235 |
| Compound Name: | N-[2-(adamantan-1-yl)ethyl]-2-(morpholin-4-yl)-5-nitrobenzamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C23 H31 N3 O4 |
| Smiles: | C1C2CC3CC1CC(CCNC(c1cc(ccc1N1CCOCC1)[N+]([O-])=O)=O)(C2)C3 |
| Stereo: | ACHIRAL |
| logP: | 4.379 |
| logD: | 4.3789 |
| logSw: | -4.2816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.968 |
| InChI Key: | PMZCRKCSQZWJNE-UHFFFAOYSA-N |