1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butane-1,4-dione
Chemical Structure Depiction of
1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butane-1,4-dione
1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butane-1,4-dione
Compound characteristics
| Compound ID: | E015-0020 |
| Compound Name: | 1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butane-1,4-dione |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCC(N1CCOc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0629 |
| logD: | 4.0628 |
| logSw: | -4.3059 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.327 |
| InChI Key: | OSXKPNSQFLCKBF-UHFFFAOYSA-N |