N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F793-1211 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6826 |
| logD: | 3.6818 |
| logSw: | -3.8147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.207 |
| InChI Key: | ZWNVNVVKJNWDGL-KRWDZBQOSA-N |