N-[1-(adamantan-1-yl)ethyl]-5-(morpholin-4-yl)-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-(morpholin-4-yl)-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-(morpholin-4-yl)-2-nitroaniline
Compound characteristics
| Compound ID: | 4327-0734 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-(morpholin-4-yl)-2-nitroaniline |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(C)Nc1cc(ccc1[N+]([O-])=O)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.667 |
| logD: | 4.667 |
| logSw: | -4.4709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.413 |
| InChI Key: | TXHBCNWBGGAEEL-BZSISCHUSA-N |