methyl 4-(3-{[N'-(3-chloro-4-methylphenyl)-N-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{[N'-(3-chloro-4-methylphenyl)-N-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
methyl 4-(3-{[N'-(3-chloro-4-methylphenyl)-N-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8009-2464 |
| Compound Name: | methyl 4-(3-{[N'-(3-chloro-4-methylphenyl)-N-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C22 H22 Cl N3 O4 S |
| Smiles: | CCN\C(=N/c1ccc(C)c(c1)[Cl])SC1CC(N(C1=O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0714 |
| logD: | 4.0694 |
| logSw: | -4.5163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.839 |
| InChI Key: | LUCSACMYNBXNRS-SFHVURJKSA-N |