1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(2,3-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-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,4-dione
1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,4-dione
Compound characteristics
Compound ID: | E015-0019 |
Compound Name: | 1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,4-dione |
Molecular Weight: | 441.96 |
Molecular Formula: | C24 H28 Cl N3 O3 |
Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCC(N1CCOc2ccc(cc12)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0285 |
logD: | 4.0284 |
logSw: | -4.3397 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 42.327 |
InChI Key: | DAECLSZHKPTLTF-UHFFFAOYSA-N |