dimethyl 5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamothioyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5236-0104 |
| Compound Name: | dimethyl 5-({[3-(2-oxopyrrolidin-1-yl)propyl]carbamothioyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C18 H23 N3 O5 S |
| Smiles: | COC(c1cc(cc(c1)NC(NCCCN1CCCC1=O)=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6478 |
| logD: | 1.6478 |
| logSw: | -2.545 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.085 |
| InChI Key: | JQVBYMGZVPKDIQ-UHFFFAOYSA-N |