N-{4-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]phenyl}acetamide
N-{4-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 8013-8680 |
| Compound Name: | N-{4-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazine-1-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 581.73 |
| Molecular Formula: | C30 H39 N5 O5 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0896 |
| logD: | 5.0893 |
| logSw: | -5.0757 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.285 |
| InChI Key: | ORKIHRWQYUITAZ-JXBUFBJBSA-N |