methyl 4-({3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 8014-7599 |
| Compound Name: | methyl 4-({3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C26 H22 F N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CC(N(Cc2ccccc2)\C(=N/c2ccc(cc2)F)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8382 |
| logD: | 4.8378 |
| logSw: | -4.6045 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.313 |
| InChI Key: | AFSMKZQADQAOOR-QFIPXVFZSA-N |