2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0116 |
| Compound Name: | 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | CCN1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)OC)OC)S1(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3816 |
| logD: | 2.3816 |
| logSw: | -3.0435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.83 |
| InChI Key: | UFKFLGYTZDZIQP-IBGZPJMESA-N |