4-[(2-fluorophenyl)methyl]-2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[(2-fluorophenyl)methyl]-2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
4-[(2-fluorophenyl)methyl]-2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C307-0102 |
| Compound Name: | 4-[(2-fluorophenyl)methyl]-2-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 561.66 |
| Molecular Formula: | C35 H32 F N3 O3 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5822 |
| logD: | 6.5822 |
| logSw: | -5.6558 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.16 |
| InChI Key: | AXLYKMVRYFMOFU-VWLOTQADSA-N |