4-[4-(5,7-dimethyl-2-oxo-1,3-benzoxazol-3(2H)-yl)piperidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(5,7-dimethyl-2-oxo-1,3-benzoxazol-3(2H)-yl)piperidine-1-carbonyl]benzonitrile
4-[4-(5,7-dimethyl-2-oxo-1,3-benzoxazol-3(2H)-yl)piperidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | V018-5568 |
| Compound Name: | 4-[4-(5,7-dimethyl-2-oxo-1,3-benzoxazol-3(2H)-yl)piperidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | Cc1cc(C)c2c(c1)N(C1CCN(CC1)C(c1ccc(C#N)cc1)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.5584 |
| logD: | 3.5584 |
| logSw: | -3.7566 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.485 |
| InChI Key: | ABBHTNCTGPBFAH-UHFFFAOYSA-N |