methyl 4-[3-({N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-({N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
methyl 4-[3-({N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
Compound characteristics
| Compound ID: | 8009-7409 |
| Compound Name: | methyl 4-[3-({N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate |
| Molecular Weight: | 615.63 |
| Molecular Formula: | C30 H28 F3 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)N1C(CC(C1=O)SC(\NCCc1ccc(c(c1)OC)OC)=N/c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3631 |
| logD: | 4.357 |
| logSw: | -4.4481 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.044 |
| InChI Key: | SOERTBMTIWHFAJ-VWLOTQADSA-N |