N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-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-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5-methyl-3-(propan-2-yl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-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: | SA31-0297 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5-methyl-3-(propan-2-yl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide |
| Molecular Weight: | 446.98 |
| Molecular Formula: | C22 H31 Cl N6 O2 |
| Smiles: | CC(C)c1nnc2COCC(C)(C(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9008 |
| logD: | 1.7885 |
| logSw: | -2.8478 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.439 |
| InChI Key: | QAIIKGJTLUZPMG-QFIPXVFZSA-N |