methyl 4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
methyl 4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8009-7411 |
| Compound Name: | methyl 4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate |
| Molecular Weight: | 507.99 |
| Molecular Formula: | C26 H22 Cl N3 O4 S |
| Smiles: | COC(c1ccc(cc1)N1C(CC(C1=O)SC(\NCc1ccccc1)=N/c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2857 |
| logD: | 4.2833 |
| logSw: | -4.6519 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.942 |
| InChI Key: | NGIOKXMHOZFYMR-QFIPXVFZSA-N |