1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,4'-piperidine]-3-carbonitrile
Chemical Structure Depiction of
1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,4'-piperidine]-3-carbonitrile
1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,4'-piperidine]-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-4144 |
| Compound Name: | 1'-acetyl-2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,4'-piperidine]-3-carbonitrile |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C17 H21 N3 O3 |
| Smiles: | CC1CC2=C(C(C1)=O)C1(CCN(CC1)C(C)=O)C(C#N)=C(N)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.812 |
| logD: | 0.812 |
| logSw: | -0.9389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.99 |
| InChI Key: | NDLWBUTWTRWCHD-SNVBAGLBSA-N |