2-amino-6-benzyl-4-(2-methoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-benzyl-4-(2-methoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-6-benzyl-4-(2-methoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0006 |
| Compound Name: | 2-amino-6-benzyl-4-(2-methoxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C26 H21 N3 O4 S |
| Smiles: | COc1ccccc1C1C(C#N)=C(N)OC2=C1S(N(Cc1ccccc1)c1ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0467 |
| logD: | 4.0467 |
| logSw: | -4.4912 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.203 |
| InChI Key: | QVJXEXFBUAXLEF-QHCPKHFHSA-N |