1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | E015-0931 |
| Compound Name: | 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(N1CCN(CC1)c1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9038 |
| logD: | 3.9038 |
| logSw: | -3.894 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.327 |
| InChI Key: | PGVDXMNLUNKGPP-UHFFFAOYSA-N |