methyl 5-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-methyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-methyl-1H-pyrazole-4-carboxylate
methyl 5-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-methyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | Y505-4109 |
| Compound Name: | methyl 5-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-methyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 328.33 |
| Molecular Formula: | C16 H16 N4 O4 |
| Smiles: | Cn1c(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c(cn1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6548 |
| logD: | 0.6548 |
| logSw: | -1.0594 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.292 |
| InChI Key: | UESDXYYQAMIGDV-GFCCVEGCSA-N |