3-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid
Chemical Structure Depiction of
3-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid
3-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid
Compound characteristics
| Compound ID: | 8015-8366 |
| Compound Name: | 3-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-3-{4-[(propan-2-yl)oxy]phenyl}propanoic acid |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | CC(C)Oc1ccc(cc1)C(CC(O)=O)NC(CSc1nc2ccccc2o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5816 |
| logD: | 0.9438 |
| logSw: | -3.7163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.919 |
| InChI Key: | MUEMWVOOZHLCLD-KRWDZBQOSA-N |