2-(2-cyanoanilino)-2-oxoethyl [(1,3-benzoxazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-(2-cyanoanilino)-2-oxoethyl [(1,3-benzoxazol-2-yl)sulfanyl]acetate
2-(2-cyanoanilino)-2-oxoethyl [(1,3-benzoxazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8009-1548 |
| Compound Name: | 2-(2-cyanoanilino)-2-oxoethyl [(1,3-benzoxazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C18 H13 N3 O4 S |
| Smiles: | C(C(Nc1ccccc1C#N)=O)OC(CSc1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.014 |
| logD: | 3.0129 |
| logSw: | -3.5743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.672 |
| InChI Key: | ODNJTBRAMBJZCM-UHFFFAOYSA-N |