6-[(4-methoxyphenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-[(4-methoxyphenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
6-[(4-methoxyphenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0053 |
| Compound Name: | 6-[(4-methoxyphenyl)methyl]-3-[4-(propan-2-yl)anilino]-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CC(C)c1ccc(cc1)NC1NC(C(Cc2ccc(cc2)OC)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.589 |
| logD: | 4.5888 |
| logSw: | -4.3757 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.3 |
| InChI Key: | CAATZJXESJQUMS-UHFFFAOYSA-N |