N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F793-1232 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(1-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidin-2-yl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | Cc1ccc(CNC(N2CCCC2c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1756 |
| logD: | 3.1748 |
| logSw: | -3.3047 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.529 |
| InChI Key: | QZXMGGLPRFFKHF-KRWDZBQOSA-N |