1-benzyl-3-({[(4-methoxyphenyl)methyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-benzyl-3-({[(4-methoxyphenyl)methyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-benzyl-3-({[(4-methoxyphenyl)methyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0100 |
| Compound Name: | 1-benzyl-3-({[(4-methoxyphenyl)methyl]amino}methylidene)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | COc1ccc(CN\C=C2/C(c3ccccc3N(Cc3ccccc3)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.072 |
| logD: | 3.072 |
| logSw: | -3.8403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.584 |
| InChI Key: | HTOPHVACYSOFFS-UHFFFAOYSA-N |