N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1147 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C26 H33 F N4 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(NCCCN1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4979 |
| logD: | 2.1667 |
| logSw: | -2.875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.23 |
| InChI Key: | XICVMQXZAXCTLS-UHFFFAOYSA-N |