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 |