4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-6446 |
| Compound Name: | 4-(3-{[N-benzyl-N'-(4-chlorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)SC(/NCc1ccccc1)=N/c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0431 |
| logD: | 1.6479 |
| logSw: | -4.4961 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.176 |
| InChI Key: | NCNHKDUUTKIJKB-NRFANRHFSA-N |