3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-1-[(4-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-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0051 |
| Compound Name: | 3-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-1-[(4-methylphenyl)methyl]-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C(/C(=C\NCCc3ccc(c(c3)OC)OC)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2283 |
| logD: | 3.2283 |
| logSw: | -3.85 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.143 |
| InChI Key: | NKSDINKBAYEOOR-UHFFFAOYSA-N |