4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8440 |
| Compound Name: | 4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C30 H31 N3 O4 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CN1C(/C(=C\c2ccc(cc2)OC)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0901 |
| logD: | 5.09 |
| logSw: | -4.9967 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.928 |
| InChI Key: | YAGQAXAVVCHDQP-UHFFFAOYSA-N |