N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide
Compound characteristics
Compound ID: | L150-0324 |
Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methylthiophene-2-carboxamide |
Molecular Weight: | 485.42 |
Molecular Formula: | C21 H17 Br N4 O S2 |
Smiles: | Cc1ccsc1C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.3815 |
logD: | 5.3815 |
logSw: | -5.3305 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.447 |
InChI Key: | DYFHVUNMQHAZFA-UHFFFAOYSA-N |