ethyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8012-6152 |
| Compound Name: | ethyl 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | CCOC(c1c(C)c(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.79 |
| logD: | 1.79 |
| logSw: | -1.9413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.337 |
| InChI Key: | AAPHPQOLGDSXAQ-HNNXBMFYSA-N |