methyl 4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzoate
methyl 4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzoate
Compound characteristics
| Compound ID: | C200-4124 |
| Compound Name: | methyl 4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]benzoate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | Cc1ccc(CN2c3ccccc3C(/C(=C\Nc3ccc(cc3)C(=O)OC)S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5264 |
| logD: | 4.5256 |
| logSw: | -4.3685 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.683 |
| InChI Key: | FFUFSXXUWGWCCP-UHFFFAOYSA-N |