4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 1932-0027 |
| Compound Name: | 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenyl acetate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | CC(=O)Oc1ccc(cc1OC)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9299 |
| logD: | 1.9299 |
| logSw: | -2.5294 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.07 |
| InChI Key: | AMZSOPQZZZTALL-GOSISDBHSA-N |