N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F854-1207 |
Compound Name: | N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 422.46 |
Molecular Formula: | C21 H18 N4 O4 S |
Smiles: | C1CC1c1nnc(C(Nc2cccc(c2)C(NCc2ccc3c(c2)OCO3)=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.3357 |
logD: | 3.3356 |
logSw: | -3.5555 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.614 |
InChI Key: | ASBIBQAZGJZNNJ-UHFFFAOYSA-N |