8-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Chemical Structure Depiction of
8-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
8-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Compound characteristics
| Compound ID: | SD18-0155 |
| Compound Name: | 8-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CC1C2=NN(C)C(N2CCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0294 |
| logD: | 2.0267 |
| logSw: | -2.0486 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.949 |
| InChI Key: | BBQSGYUQPPCYCK-KRWDZBQOSA-N |