ethyl 4-{[(1-benzyl-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(1-benzyl-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene)methyl]amino}benzoate
ethyl 4-{[(1-benzyl-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | E953-0020 |
| Compound Name: | ethyl 4-{[(1-benzyl-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C23 H20 N2 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)N/C=C1/C(c2c(ccs2)N(Cc2ccccc2)S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7122 |
| logD: | 4.711 |
| logSw: | -4.2975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.281 |
| InChI Key: | KVIJKAGATPOMBJ-UHFFFAOYSA-N |