1-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
Chemical Structure Depiction of
1-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
1-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
Compound characteristics
| Compound ID: | E015-0632 |
| Compound Name: | 1-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C26 H33 N3 O3 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CCC(N1CC(C)Oc2ccc(C)cc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.09 |
| logD: | 4.0898 |
| logSw: | -4.215 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.944 |
| InChI Key: | BMQORBONTOFYDX-UHFFFAOYSA-N |