2-amino-4-(4-bromo-1-ethyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromo-1-ethyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-bromo-1-ethyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4146 |
| Compound Name: | 2-amino-4-(4-bromo-1-ethyl-1H-pyrazol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 391.27 |
| Molecular Formula: | C17 H19 Br N4 O2 |
| Smiles: | CCn1c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(cn1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.198 |
| logD: | 2.198 |
| logSw: | -1.989 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.557 |
| InChI Key: | VZUDWLDFWLKAOQ-CYBMUJFWSA-N |