N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}glycinamide
Compound characteristics
| Compound ID: | K784-5744 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}glycinamide |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C26 H33 N3 O6 S |
| Smiles: | COc1cc(CN(C2CCCC2)C(NCC(NCc2ccc3c(c2)OCO3)=O)=S)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8563 |
| logD: | 3.8563 |
| logSw: | -4.033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.925 |
| InChI Key: | GEJBFQLVMVQBLR-UHFFFAOYSA-N |