2-(4-bromophenyl)-2-oxoethyl 2-[(1,3-benzoxazol-2-yl)sulfanyl]butanoate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl 2-[(1,3-benzoxazol-2-yl)sulfanyl]butanoate
2-(4-bromophenyl)-2-oxoethyl 2-[(1,3-benzoxazol-2-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | 8017-5893 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl 2-[(1,3-benzoxazol-2-yl)sulfanyl]butanoate |
| Molecular Weight: | 434.31 |
| Molecular Formula: | C19 H16 Br N O4 S |
| Smiles: | CCC(C(=O)OCC(c1ccc(cc1)[Br])=O)Sc1nc2ccccc2o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4625 |
| logD: | 5.4625 |
| logSw: | -5.5085 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.006 |
| InChI Key: | ABSHIXNZYLPRDA-KRWDZBQOSA-N |