methyl 3-[1-(3-cyanobenzoyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate
Chemical Structure Depiction of
methyl 3-[1-(3-cyanobenzoyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate
methyl 3-[1-(3-cyanobenzoyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate
Compound characteristics
| Compound ID: | V030-2329 |
| Compound Name: | methyl 3-[1-(3-cyanobenzoyl)piperidin-4-yl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C22 H19 N3 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccc2c(c1)N(C1CCN(CC1)C(c1cccc(C#N)c1)=O)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4438 |
| logD: | 2.4438 |
| logSw: | -2.7839 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.975 |
| InChI Key: | YVEKCOWBTPVVNT-UHFFFAOYSA-N |