2-[4-(adamantan-1-yl)piperazine-1-carbonyl]-1-nitroanthracene-9,10-dione
Chemical Structure Depiction of
2-[4-(adamantan-1-yl)piperazine-1-carbonyl]-1-nitroanthracene-9,10-dione
2-[4-(adamantan-1-yl)piperazine-1-carbonyl]-1-nitroanthracene-9,10-dione
Compound characteristics
| Compound ID: | 8013-1777 |
| Compound Name: | 2-[4-(adamantan-1-yl)piperazine-1-carbonyl]-1-nitroanthracene-9,10-dione |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C29 H29 N3 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8253 |
| logD: | 5.785 |
| logSw: | -5.9597 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.561 |
| InChI Key: | HRDGLMONWUZRSQ-UHFFFAOYSA-N |