1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0024 |
| Compound Name: | 1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C18 H16 N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)N1C=C(C#N)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6735 |
| logD: | 1.6735 |
| logSw: | -2.437 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.985 |
| InChI Key: | QPXSKNKTMIIEOK-UHFFFAOYSA-N |