N-{4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide
N-{4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide
Compound characteristics
| Compound ID: | E745-0042 |
| Compound Name: | N-{4-[({1-[(4-methylphenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | CC(Nc1ccc(cc1)N\C=C1/C(c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6368 |
| logD: | 3.6368 |
| logSw: | -4.0752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.771 |
| InChI Key: | JSYFIJNRMYPADH-UHFFFAOYSA-N |