4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-6447 |
| Compound Name: | 4-[3-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)carbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid |
| Molecular Weight: | 521.52 |
| Molecular Formula: | C26 H20 F N3 O6 S |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)SC(\NCc1ccc2c(c1)OCO2)=N/c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3906 |
| logD: | 0.9954 |
| logSw: | -3.7856 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.291 |
| InChI Key: | ZRCYCSUOIULTQF-QFIPXVFZSA-N |