1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | E015-1237 |
| Compound Name: | 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | CC1CN(C(CCC(N2CCN(CC2)c2cc(ccc2C)[Cl])=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9706 |
| logD: | 3.9706 |
| logSw: | -4.2324 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.424 |
| InChI Key: | YBJKXUWCDXOUOJ-GOSISDBHSA-N |