3-[4-(2-methylpropoxy)phenyl]-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-[4-(2-methylpropoxy)phenyl]-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
3-[4-(2-methylpropoxy)phenyl]-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V026-5317 |
| Compound Name: | 3-[4-(2-methylpropoxy)phenyl]-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | CC(C)COc1ccc(cc1)C1NN=C(CCC(N2CCCC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5728 |
| logD: | 1.6316 |
| logSw: | -2.853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.566 |
| InChI Key: | BNXLEAHXZAZYRD-UHFFFAOYSA-N |