4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)benzonitrile
4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | Z606-0409 |
| Compound Name: | 4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)benzonitrile |
| Molecular Weight: | 278.31 |
| Molecular Formula: | C17 H14 N2 O2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9774 |
| logD: | 2.9774 |
| logSw: | -3.1279 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.559 |
| InChI Key: | YEUKKEXTEYCKFN-UHFFFAOYSA-N |