methyl 4-({[(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)sulfanyl](methylimino)methyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)sulfanyl](methylimino)methyl}amino)benzoate
methyl 4-({[(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)sulfanyl](methylimino)methyl}amino)benzoate
Compound characteristics
| Compound ID: | 8010-5636 |
| Compound Name: | methyl 4-({[(1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl)sulfanyl](methylimino)methyl}amino)benzoate |
| Molecular Weight: | 497.9 |
| Molecular Formula: | C21 H18 Cl F2 N3 O5 S |
| Smiles: | C/N=C(/Nc1ccc(cc1)C(=O)OC)SC1CC(N(C1=O)c1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8193 |
| logD: | 3.7771 |
| logSw: | -4.5483 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.142 |
| InChI Key: | HQHWGWKLVYZPLZ-MRXNPFEDSA-N |