2-amino-4-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4061 |
| Compound Name: | 2-amino-4-(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CCCn1c(C)c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9134 |
| logD: | 1.9134 |
| logSw: | -1.8326 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.134 |
| InChI Key: | NFEHBTPEVWRWKK-KRWDZBQOSA-N |