2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0438 |
| Compound Name: | 2-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C30 H31 N3 O3 |
| Smiles: | CCN1CCN(CC1)C(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.736 |
| logD: | 4.5598 |
| logSw: | -4.42 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.218 |
| InChI Key: | HLLMGJGOHCWEKT-UHFFFAOYSA-N |