4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl butanoate
Chemical Structure Depiction of
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl butanoate
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl butanoate
Compound characteristics
| Compound ID: | 3448-4283 |
| Compound Name: | 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl butanoate |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C22 H24 N2 O4 |
| Smiles: | CCCC(=O)Oc1ccc(cc1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0441 |
| logD: | 3.0441 |
| logSw: | -3.3364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.657 |
| InChI Key: | NZQKKSYWNYAKEN-LJQANCHMSA-N |