4-(3-{[N-ethyl-N'-(3-fluorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[N-ethyl-N'-(3-fluorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{[N-ethyl-N'-(3-fluorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-5630 |
| Compound Name: | 4-(3-{[N-ethyl-N'-(3-fluorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C20 H18 F N3 O4 S |
| Smiles: | CCN\C(=N/c1cccc(c1)F)SC1CC(N(C1=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6495 |
| logD: | 0.2543 |
| logSw: | -2.8852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.073 |
| InChI Key: | HLZMIUUSXSJTPR-INIZCTEOSA-N |