methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 2739-0247 |
| Compound Name: | methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate |
| Molecular Weight: | 535.55 |
| Molecular Formula: | C27 H22 F N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(cc2)F)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7093 |
| logD: | 4.709 |
| logSw: | -4.5105 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.428 |
| InChI Key: | PVVIDRQNSBCDJT-QHCPKHFHSA-N |