N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F792-1539 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | Cc1ccccc1CC(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6894 |
| logD: | 3.6885 |
| logSw: | -3.8354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.858 |
| InChI Key: | DBTRCPDAJOFZQU-KRWDZBQOSA-N |