N-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}adamantan-2-amine
Chemical Structure Depiction of
N-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}adamantan-2-amine
N-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}adamantan-2-amine
Compound characteristics
Compound ID: | 5820-0788 |
Compound Name: | N-{5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitrophenyl}adamantan-2-amine |
Molecular Weight: | 448.58 |
Molecular Formula: | C22 H32 N4 O4 S |
Smiles: | CCS(N1CCN(CC1)c1ccc(c(c1)NC1C2CC3CC(C2)CC1C3)[N+]([O-])=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3205 |
logD: | 4.3205 |
logSw: | -4.3776 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.34 |
InChI Key: | PNXLRXSLRBTQCP-UHFFFAOYSA-N |