N-(adamantan-1-yl)-4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
N-(adamantan-1-yl)-4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V001-2058 |
| Compound Name: | N-(adamantan-1-yl)-4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide |
| Molecular Weight: | 473.66 |
| Molecular Formula: | C29 H39 N5 O |
| Smiles: | Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(CC2)C(NC23CC4CC(CC(C4)C3)C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8835 |
| logD: | 5.7946 |
| logSw: | -5.5224 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.408 |
| InChI Key: | BWFJSVVFGKKHHM-UHFFFAOYSA-N |