N-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
N-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | D443-2043 |
Compound Name: | N-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 409.87 |
Molecular Formula: | C21 H20 Cl N5 O2 |
Smiles: | CCCCNC(c1c(C)n(c2ccc3c(c2)c(c2ccc(cc2)[Cl])on3)nn1)=O |
Stereo: | ACHIRAL |
logP: | 4.7071 |
logD: | 4.7071 |
logSw: | -4.7893 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.091 |
InChI Key: | IKDKOTWVQVYUFM-UHFFFAOYSA-N |