1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-fluorophenyl)carbamimidothioate
Chemical Structure Depiction of
1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-fluorophenyl)carbamimidothioate
1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-fluorophenyl)carbamimidothioate
Compound characteristics
| Compound ID: | 8009-3512 |
| Compound Name: | 1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-fluorophenyl)carbamimidothioate |
| Molecular Weight: | 542.03 |
| Molecular Formula: | C27 H25 Cl F N3 O4 S |
| Smiles: | COc1ccc(CCN\C(=N/c2ccc(cc2)F)SC2CC(N(C2=O)c2ccc(cc2)[Cl])=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8597 |
| logD: | 3.8585 |
| logSw: | -4.4731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.87 |
| InChI Key: | GMPBMVQBGOGQNB-XMMPIXPASA-N |