methyl 2-chloro-4-({[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]carbamothioyl}amino)-5-methoxybenzoate
Chemical Structure Depiction of
methyl 2-chloro-4-({[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]carbamothioyl}amino)-5-methoxybenzoate
methyl 2-chloro-4-({[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]carbamothioyl}amino)-5-methoxybenzoate
Compound characteristics
| Compound ID: | 1682-7192 |
| Compound Name: | methyl 2-chloro-4-({[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]carbamothioyl}amino)-5-methoxybenzoate |
| Molecular Weight: | 517.99 |
| Molecular Formula: | C24 H24 Cl N3 O6 S |
| Smiles: | COC(c1cc(c(cc1[Cl])NC(NC(CCCCCN1C(c2ccccc2C1=O)=O)=O)=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9003 |
| logD: | 2.9424 |
| logSw: | -4.4743 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.636 |
| InChI Key: | DOWGRTBIZWIGFM-UHFFFAOYSA-N |