tert-butyl 4-{2-[2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamido]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-{2-[2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamido]benzoyl}piperazine-1-carboxylate
tert-butyl 4-{2-[2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamido]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | G487-0644 |
| Compound Name: | tert-butyl 4-{2-[2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamido]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H31 N5 O5 |
| Smiles: | CC1=CC(C)=C(C#N)C(N1CC(Nc1ccccc1C(N1CCN(CC1)C(=O)OC(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7453 |
| logD: | 2.7435 |
| logSw: | -3.4121 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.473 |
| InChI Key: | IFMMWPLVQPNBDO-UHFFFAOYSA-N |