methyl 4-(3-{[N'-(4-chlorophenyl)-N-(diphenylmethyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{[N'-(4-chlorophenyl)-N-(diphenylmethyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
methyl 4-(3-{[N'-(4-chlorophenyl)-N-(diphenylmethyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8010-3320 |
| Compound Name: | methyl 4-(3-{[N'-(4-chlorophenyl)-N-(diphenylmethyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate |
| Molecular Weight: | 584.09 |
| Molecular Formula: | C32 H26 Cl N3 O4 S |
| Smiles: | COC(c1ccc(cc1)N1C(CC(C1=O)SC(/NC(c1ccccc1)c1ccccc1)=N/c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9767 |
| logD: | 5.9746 |
| logSw: | -6.2749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.022 |
| InChI Key: | PIJQYZVZYVOCDN-MHZLTWQESA-N |