4-[3-({N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-({N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
4-[3-({N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-6445 |
| Compound Name: | 4-[3-({N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid |
| Molecular Weight: | 523.99 |
| Molecular Formula: | C26 H22 Cl N3 O5 S |
| Smiles: | COc1ccc(CN\C(=N/c2ccc(cc2)[Cl])SC2CC(N(C2=O)c2ccc(cc2)C(O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0255 |
| logD: | 1.6303 |
| logSw: | -4.4735 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.72 |
| InChI Key: | QRENDNAVTODBDF-QFIPXVFZSA-N |