2-[(4-methoxyphenyl)methylidene]-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-methoxyphenyl)methylidene]-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(4-methoxyphenyl)methylidene]-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8443 |
| Compound Name: | 2-[(4-methoxyphenyl)methylidene]-4-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C30 H31 N3 O4 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CN1C(/C(=C\c2ccc(cc2)OC)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8778 |
| logD: | 4.8775 |
| logSw: | -4.6901 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.448 |
| InChI Key: | PYBQOIHADLAHQF-QFIPXVFZSA-N |