N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-3-(propan-2-yl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-3-(propan-2-yl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-3-(propan-2-yl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
Compound characteristics
| Compound ID: | SA31-4402 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-methyl-3-(propan-2-yl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H33 F N6 O2 |
| Smiles: | CC(C)c1nnc2COCC(C)(C(NCCCN3CCN(CC3)c3ccc(cc3)F)=O)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.591 |
| logD: | 1.0049 |
| logSw: | -2.0419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.439 |
| InChI Key: | ATMABTQNZLKGGG-QHCPKHFHSA-N |