N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)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)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F793-1213 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[(4-methylphenyl)carbamoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 451.5 |
Molecular Formula: | C22 H21 N5 O4 S |
Smiles: | Cc1ccc(cc1)NC(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4131 |
logD: | 3.4122 |
logSw: | -3.6358 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.207 |
InChI Key: | VSBRYCLRYYSOHH-INIZCTEOSA-N |