N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F793-1234 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | Cc1ccc(c(c1)NC(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2226 |
| logD: | 3.2218 |
| logSw: | -3.3853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.139 |
| InChI Key: | JBSSHJWAVPNJKS-UHFFFAOYSA-N |