ethyl 4-{[(1-benzyl-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(1-benzyl-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene)methyl]amino}benzoate
ethyl 4-{[(1-benzyl-2,2,4-trioxo-1,4-dihydro-2lambda~6~,1-benzothiazin-3(2H)-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | C200-3301 |
| Compound Name: | ethyl 4-{[(1-benzyl-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: | CCOC(c1ccc(cc1)N/C=C1/C(c2ccccc2N(Cc2ccccc2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6137 |
| logD: | 4.6129 |
| logSw: | -4.3801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.263 |
| InChI Key: | OUFXLRMRRGDBSC-UHFFFAOYSA-N |