1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
Chemical Structure Depiction of
1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | E015-0015 |
| Compound Name: | 1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | C(CC(N1CCOc2ccc(cc12)[Cl])=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9049 |
| logD: | 2.9049 |
| logSw: | -3.3817 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.628 |
| InChI Key: | JPIGALGMUUCUBB-UHFFFAOYSA-N |