N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[3-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[3-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[3-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Compound characteristics
| Compound ID: | V004-4433 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[3-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(C)COc1cccc(c1)C1NN=C(CCC(NCc2ccc3c(c2)OCO3)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1153 |
| logD: | 3.1153 |
| logSw: | -3.3402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.394 |
| InChI Key: | WXZOGHUKYBBTRU-UHFFFAOYSA-N |