N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F792-1486 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 480.54 |
Molecular Formula: | C24 H24 N4 O5 S |
Smiles: | COc1ccc(CCC(N2CCCC2c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3485 |
logD: | 3.3476 |
logSw: | -3.6291 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.402 |
InChI Key: | BVFKSUNKXZMVBX-SFHVURJKSA-N |