4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxobutanamide
Chemical Structure Depiction of
4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxobutanamide
4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-0235 |
| Compound Name: | 4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxobutanamide |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C25 H30 Cl F N4 O3 |
| Smiles: | C(CNC(CCC(N1CCOc2ccc(cc12)[Cl])=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.6226 |
| logD: | 2.2913 |
| logSw: | -3.5587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.23 |
| InChI Key: | GFTPYUYFDGNVQN-UHFFFAOYSA-N |