benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)piperidine-1-carboxylate
Chemical Structure Depiction of
benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)piperidine-1-carboxylate
benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | 4478-7301 |
| Compound Name: | benzyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)piperidine-1-carboxylate |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C25 H29 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(C3CCN(CC3)C(=O)OCc3ccccc3)C(C#N)=C(N)O2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3042 |
| logD: | 3.3042 |
| logSw: | -3.7261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.678 |
| InChI Key: | STZZDLOMENMGMS-OAQYLSRUSA-N |