8-(2-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-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-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
8-(2-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Compound characteristics
| Compound ID: | SD18-0023 |
| Compound Name: | 8-(2-{4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-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: | Cc1ccc(CN2CCN(CC2)C(CC2C3=NNC(N3CCO2)=O)=O)cc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5388 |
| logD: | 1.3308 |
| logSw: | -2.2221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.18 |
| InChI Key: | BHKVZKTYRVTPPS-KRWDZBQOSA-N |