N-(adamantan-1-yl)-4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide
N-(adamantan-1-yl)-4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | V001-3085 |
| Compound Name: | N-(adamantan-1-yl)-4-{[N-(ethanesulfonyl)-N-propylglycyl][(2-methylphenyl)methyl]amino}piperidine-1-carboxamide |
| Molecular Weight: | 572.81 |
| Molecular Formula: | C31 H48 N4 O4 S |
| Smiles: | CCCN(CC(N(Cc1ccccc1C)C1CCN(CC1)C(NC12CC3CC(CC(C3)C2)C1)=O)=O)S(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5011 |
| logD: | 5.5006 |
| logSw: | -5.4228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.981 |
| InChI Key: | VQZHPTFTSKZONO-UHFFFAOYSA-N |