6-{3-[4-(2-methoxyethyl)piperazin-1-yl]-3-oxopropyl}-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-{3-[4-(2-methoxyethyl)piperazin-1-yl]-3-oxopropyl}-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-5(2H)-one
6-{3-[4-(2-methoxyethyl)piperazin-1-yl]-3-oxopropyl}-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V022-0542 |
| Compound Name: | 6-{3-[4-(2-methoxyethyl)piperazin-1-yl]-3-oxopropyl}-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C22 H31 N5 O6 |
| Smiles: | COCCN1CCN(CC1)C(CCC1C(N=C(c2cc(c(c(c2)OC)OC)OC)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1464 |
| logD: | -1.3875 |
| logSw: | -1.3093 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.811 |
| InChI Key: | FAJXQPYNOAKGDP-UHFFFAOYSA-N |