ethyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-ethyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-ethyl-1H-pyrazole-3-carboxylate
ethyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-ethyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y505-4108 |
| Compound Name: | ethyl 5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-1-ethyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C20 H24 N4 O4 |
| Smiles: | CCn1c(cc(C(=O)OCC)n1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.502 |
| logD: | 1.502 |
| logSw: | -1.784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.311 |
| InChI Key: | KXZIEVRMUUQBJD-INIZCTEOSA-N |