ethyl 7-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate
Chemical Structure Depiction of
ethyl 7-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate
ethyl 7-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate
Compound characteristics
| Compound ID: | V011-6259 |
| Compound Name: | ethyl 7-[2-methyl-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)anilino]-7-oxoheptanoate |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C23 H30 N2 O4 |
| Smiles: | CCOC(CCCCCC(Nc1cc(ccc1C)c1c2CCCCc2no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2281 |
| logD: | 4.2281 |
| logSw: | -4.1597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.038 |
| InChI Key: | HKLZLIAILMJYDR-UHFFFAOYSA-N |