ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 2738-0228 |
| Compound Name: | ethyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C28 H24 Cl N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(cc2)[Cl])S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7857 |
| logD: | 5.7853 |
| logSw: | -6.0149 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.008 |
| InChI Key: | CLNFDIHQSOILRV-DEOSSOPVSA-N |