6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-(4-methylphenyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-(4-methylphenyl)-1,2,4-triazin-5(2H)-one
6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-(4-methylphenyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V004-7256 |
| Compound Name: | 6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-(4-methylphenyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | Cc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)Cc2ccc(cc2)OC)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2316 |
| logD: | 2.2316 |
| logSw: | -2.6367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.785 |
| InChI Key: | MJPPETSQGNBILP-UHFFFAOYSA-N |