4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-ethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Chemical Structure Depiction of
4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-ethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-ethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8010-5638 |
| Compound Name: | 4-{3-[(N-{4-[chloro(difluoro)methoxy]phenyl}-N'-ethylcarbamimidoyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoic acid |
| Molecular Weight: | 497.9 |
| Molecular Formula: | C21 H18 Cl F2 N3 O5 S |
| Smiles: | CC/N=C(/Nc1ccc(cc1)OC(F)(F)[Cl])SC1CC(N(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0843 |
| logD: | 1.6891 |
| logSw: | -4.3284 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.767 |
| InChI Key: | WTGBFFKAOXOXMO-INIZCTEOSA-N |