methyl 5-(2-amino-3-cyano-7,7-dimethyl-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-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-methyl-1H-pyrazole-4-carboxylate
methyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-methyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | Y505-4054 |
| Compound Name: | methyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-methyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C18 H20 N4 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2c(cnn2C)C(=O)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2549 |
| logD: | 1.2549 |
| logSw: | -1.6137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.292 |
| InChI Key: | DNILTHRZAXEERC-CYBMUJFWSA-N |