5-[(4-methoxyphenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
5-[(4-methoxyphenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-6(1H)-one
5-[(4-methoxyphenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | G879-1558 |
| Compound Name: | 5-[(4-methoxyphenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C21 H23 N3 O3 |
| Smiles: | CC(C)COc1ccc(cc1)C1N=C(Cc2ccc(cc2)OC)C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1036 |
| logD: | 4.1036 |
| logSw: | -4.2489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.351 |
| InChI Key: | CIIKLYZUNXQFCA-UHFFFAOYSA-N |