ethyl 5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
ethyl 5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
Compound characteristics
Compound ID: | 8009-2796 |
Compound Name: | ethyl 5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate |
Molecular Weight: | 422.46 |
Molecular Formula: | C21 H18 N4 O4 S |
Smiles: | CCOC(c1cnn(c2ccccc2)c1NC(CSc1nc2ccccc2o1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4323 |
logD: | 4.3848 |
logSw: | -4.1084 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.27 |
InChI Key: | HGCIJWLRHXBCGU-UHFFFAOYSA-N |