N-{4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide
N-{4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide
Compound characteristics
| Compound ID: | E953-0281 |
| Compound Name: | N-{4-[({1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-ylidene}methyl)amino]phenyl}acetamide |
| Molecular Weight: | 487.98 |
| Molecular Formula: | C22 H18 Cl N3 O4 S2 |
| Smiles: | CC(Nc1ccc(cc1)N/C=C1/C(c2c(ccs2)N(Cc2ccc(cc2)[Cl])S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9068 |
| logD: | 3.9067 |
| logSw: | -4.296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.79 |
| InChI Key: | DBTNLNOVNNMXHK-UHFFFAOYSA-N |