methyl 4-({3-[2-(4-chlorophenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[2-(4-chlorophenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({3-[2-(4-chlorophenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
Compound ID: | 2742-4827 |
Compound Name: | methyl 4-({3-[2-(4-chlorophenyl)ethyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate |
Molecular Weight: | 540.01 |
Molecular Formula: | C27 H23 Cl F N3 O4 S |
Smiles: | COC(c1ccc(cc1)NC(C1CC(N(CCc2ccc(cc2)[Cl])/C(=N/c2ccc(cc2)F)S1)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.532 |
logD: | 5.5317 |
logSw: | -5.9279 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.291 |
InChI Key: | DKLWRXHSLOHRIX-HSZRJFAPSA-N |