methyl 4-({[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]carbamothioyl}amino)benzoate
methyl 4-({[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 1683-6852 |
| Compound Name: | methyl 4-({[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(NC(CCN1C(c2ccccc2C1=O)=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4175 |
| logD: | 2.4158 |
| logSw: | -3.0125 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.703 |
| InChI Key: | RCRLKZALAUKNNN-UHFFFAOYSA-N |