3-[(3,4-dimethoxyphenyl)methyl]-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-[(3,4-dimethoxyphenyl)methyl]-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-[(3,4-dimethoxyphenyl)methyl]-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V008-7990 |
| Compound Name: | 3-[(3,4-dimethoxyphenyl)methyl]-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C20 H27 N5 O4 |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(CCC1C(N=C(Cc2ccc(c(c2)OC)OC)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0956 |
| logD: | -0.301 |
| logSw: | -1.9231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.447 |
| InChI Key: | NRYAWZFTYSLMBG-UHFFFAOYSA-N |