N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F793-1221 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(3-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | Cc1cccc(c1)NC(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3496 |
| logD: | 3.3487 |
| logSw: | -3.4762 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.207 |
| InChI Key: | BKCPDVWRYGCNAA-INIZCTEOSA-N |