2-({4-[2-methyl-4-(2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-({4-[2-methyl-4-(2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
2-({4-[2-methyl-4-(2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-4808 |
| Compound Name: | 2-({4-[2-methyl-4-(2-methylphenyl)piperazine-1-carbonyl]phenyl}methylidene)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | CC1CN(CCN1C(c1ccc(/C=C2/C(Nc3ccccc3O2)=O)cc1)=O)c1ccccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9879 |
| logD: | 4.9879 |
| logSw: | -4.5701 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.634 |
| InChI Key: | FDNDERKVUJLEEO-FQEVSTJZSA-N |