methyl 4-({2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
Compound ID: | 2739-0167 |
Compound Name: | methyl 4-({2-[(4-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate |
Molecular Weight: | 522.02 |
Molecular Formula: | C27 H24 Cl N3 O4 S |
Smiles: | COC(c1ccc(cc1)NC(C1CC(N(CCc2ccccc2)/C(=N/c2ccc(cc2)[Cl])S1)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5029 |
logD: | 5.5026 |
logSw: | -5.9033 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.291 |
InChI Key: | ULPFPOSJWBALAQ-QHCPKHFHSA-N |