3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V001-0822 |
| Compound Name: | 3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C25 H28 Cl N5 O4 |
| Smiles: | CN1CCN(CC1)C(CCC1C(N=C(c2ccc(c(c2)OC)OCc2ccccc2[Cl])NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8901 |
| logD: | 1.8901 |
| logSw: | -2.9392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.122 |
| InChI Key: | CFRLMHYKQOIXDK-UHFFFAOYSA-N |