2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0427 |
| Compound Name: | 2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C36 H35 N3 O3 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0884 |
| logD: | 7.0884 |
| logSw: | -5.634 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.16 |
| InChI Key: | OIJYAUBYOLUSGA-MHZLTWQESA-N |