2-amino-7,7-dimethyl-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-5-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-5-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-5-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4289 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-4-[1-(propan-2-yl)-1H-pyrazol-5-yl]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | CC(C)n1c(ccn1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6512 |
| logD: | 1.6512 |
| logSw: | -1.9297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.435 |
| InChI Key: | DILOCQXAGLTGQS-HNNXBMFYSA-N |