N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G856-9765 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[(4-methylphenyl)carbamamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C20 H19 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)NC(Nc1nnc(SCC(NCc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3929 |
| logD: | 4.3927 |
| logSw: | -4.2651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.763 |
| InChI Key: | KCXNVXLFLKUFMW-UHFFFAOYSA-N |