5-bromo-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
5-bromo-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
5-bromo-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
Compound characteristics
Compound ID: | D107-1096 |
Compound Name: | 5-bromo-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide |
Molecular Weight: | 389.25 |
Molecular Formula: | C18 H17 Br N2 O3 |
Smiles: | [H]N(C(c1c(C)c2cc(ccc2o1)[Br])=O)c1c2CC(C)CCc2no1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9312 |
logD: | 4.4616 |
logSw: | -4.6793 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.364 |
InChI Key: | HXLYOODWXMMJAF-SECBINFHSA-N |