2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenoxy]acetamide
Chemical Structure Depiction of
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenoxy]acetamide
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenoxy]acetamide
Compound characteristics
| Compound ID: | 3132-0969 |
| Compound Name: | 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)-2-methoxyphenoxy]acetamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)OC)OCC(N)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6017 |
| logD: | 0.6017 |
| logSw: | -1.7163 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.206 |
| InChI Key: | YICWNUFDWDPBSU-GOSISDBHSA-N |