2-[2-(4-bromo-2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(4-bromo-2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-(4-bromo-2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
Compound ID: | 3057-1096 |
Compound Name: | 2-[2-(4-bromo-2-tert-butylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Molecular Weight: | 465.41 |
Molecular Formula: | C21 H25 Br N2 O3 S |
Smiles: | CC(C)(C)c1cc(ccc1OCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)[Br] |
Stereo: | ACHIRAL |
logP: | 4.2347 |
logD: | 3.8762 |
logSw: | -4.6456 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 64.476 |
InChI Key: | CJWOGLWGARYFPF-UHFFFAOYSA-N |