methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methoxyphenyl)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-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 2738-0359 |
| Compound Name: | methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C28 H25 N3 O7 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(cc2)OC)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6627 |
| logD: | 4.6609 |
| logSw: | -4.4504 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.972 |
| InChI Key: | UXAQFPUUYRWNSY-DEOSSOPVSA-N |