4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-methylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid--acetic acid (1/1)
Chemical Structure Depiction of
4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-methylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid--acetic acid (1/1)
4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-methylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8010-5655 |
| Compound Name: | 4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-methylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid--acetic acid (1/1) |
| Molecular Weight: | 543.93 |
| Molecular Formula: | C20 H16 Cl F2 N3 O5 S |
| Salt: | CH3COOH |
| Smiles: | C/N=C(/Nc1ccc(cc1)OC(F)(F)[Cl])SC1CC(N(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5768 |
| logD: | 1.1816 |
| logSw: | -4.2288 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.376 |
| InChI Key: | YSZAEKRWZZYNMO-HNNXBMFYSA-N |