ethyl 7-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate
Chemical Structure Depiction of
ethyl 7-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate
ethyl 7-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate
Compound characteristics
| Compound ID: | V031-1769 |
| Compound Name: | ethyl 7-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C22 H27 Cl N2 O4 |
| Salt: | not_available |
| Smiles: | CCOC(CCCCCC(Nc1cc(ccc1[Cl])c1c2CCCCc2no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6285 |
| logD: | 4.6285 |
| logSw: | -4.7883 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.038 |
| InChI Key: | ODYYADYGFIKRMN-UHFFFAOYSA-N |