3-(4-methylbenzoyl)-1,2-benzoxazole-5,6-dicarbonitrile
Chemical Structure Depiction of
3-(4-methylbenzoyl)-1,2-benzoxazole-5,6-dicarbonitrile
3-(4-methylbenzoyl)-1,2-benzoxazole-5,6-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-5538 |
| Compound Name: | 3-(4-methylbenzoyl)-1,2-benzoxazole-5,6-dicarbonitrile |
| Molecular Weight: | 287.28 |
| Molecular Formula: | C17 H9 N3 O2 |
| Smiles: | Cc1ccc(cc1)C(c1c2cc(C#N)c(C#N)cc2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4729 |
| logD: | 3.4729 |
| logSw: | -3.7891 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 70.017 |
| InChI Key: | MUMDQTNKJPUIFT-UHFFFAOYSA-N |