ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate
ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C700-0425 |
| Compound Name: | ethyl 4-[4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C31 H31 N3 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.111 |
| logD: | 5.111 |
| logSw: | -5.0263 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.461 |
| InChI Key: | ZUJLQTGBWSTVEC-UHFFFAOYSA-N |