3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4201 |
| Compound Name: | 3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-1-[(3-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | Cc1cccc(CN2c3ccccc3C(/C(=C\NCCc3ccc(c(c3)OC)OC)S2(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4515 |
| logD: | 3.4515 |
| logSw: | -3.9686 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.143 |
| InChI Key: | FWKPJVOWYBGYJS-UHFFFAOYSA-N |