N-(adamantan-1-yl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine-1-carboxamide
N-(adamantan-1-yl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | 8016-9604 |
| Compound Name: | N-(adamantan-1-yl)-4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazine-1-carboxamide |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C29 H37 N5 O3 |
| Smiles: | C(CNc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(NC12CC3CC(CC(C3)C2)C1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4655 |
| logD: | 5.4654 |
| logSw: | -5.7956 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.445 |
| InChI Key: | KWPFOGHUMQSHES-UHFFFAOYSA-N |