2-amino-6-[(2-methylphenyl)methyl]-5,5-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-[(2-methylphenyl)methyl]-5,5-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-6-[(2-methylphenyl)methyl]-5,5-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0428 |
| Compound Name: | 2-amino-6-[(2-methylphenyl)methyl]-5,5-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C29 H27 N3 O6 S |
| Smiles: | Cc1ccccc1CN1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2cc(c(c(c2)OC)OC)OC)S1(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4924 |
| logD: | 4.4924 |
| logSw: | -4.6081 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.551 |
| InChI Key: | FADVOJBJOIJHDN-VWLOTQADSA-N |