N-(4-acetylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
N-(4-acetylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | D545-0153 |
Compound Name: | N-(4-acetylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 465.51 |
Molecular Formula: | C27 H23 N5 O3 |
Smiles: | CCCc1c(C(Nc2ccc(cc2)C(C)=O)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
Stereo: | ACHIRAL |
logP: | 5.1671 |
logD: | 5.1591 |
logSw: | -5.0962 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.993 |
InChI Key: | JDAUOAOJFJEUKY-UHFFFAOYSA-N |