N-(2-benzamido-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enoyl)-beta-alanine
Chemical Structure Depiction of
N-(2-benzamido-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enoyl)-beta-alanine
N-(2-benzamido-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enoyl)-beta-alanine
Compound characteristics
| Compound ID: | 8007-4442 |
| Compound Name: | N-(2-benzamido-3-{4-[(propan-2-yl)oxy]phenyl}prop-2-enoyl)-beta-alanine |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C22 H24 N2 O5 |
| Smiles: | CC(C)Oc1ccc(\C=C(/C(NCCC(O)=O)=O)NC(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9705 |
| logD: | -0.7252 |
| logSw: | -2.4797 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.876 |
| InChI Key: | XRZCNCRRHZQFAJ-UHFFFAOYSA-N |