N-(3-{[(4-ethylphenyl)methyl]carbamoyl}phenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(4-ethylphenyl)methyl]carbamoyl}phenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-{[(4-ethylphenyl)methyl]carbamoyl}phenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F912-0496 |
Compound Name: | N-(3-{[(4-ethylphenyl)methyl]carbamoyl}phenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 486.59 |
Molecular Formula: | C27 H26 N4 O3 S |
Smiles: | CCc1ccc(CNC(c2cccc(c2)NC(c2nnc(COc3cccc(C)c3)s2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.4992 |
logD: | 5.4991 |
logSw: | -5.3808 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.97 |
InChI Key: | GMNFMLVPGBFOJU-UHFFFAOYSA-N |