methyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-(butan-2-yl)-1H-pyrazole-3-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-(butan-2-yl)-1H-pyrazole-3-carboxylate
methyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-(butan-2-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y505-4282 |
| Compound Name: | methyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-(butan-2-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | CCC(C)n1c(cc(C(=O)OC)n1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0758 |
| logD: | 2.0758 |
| logSw: | -2.1679 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.059 |
| InChI Key: | TVNFGBVUPITYEJ-UHFFFAOYSA-N |