N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[4-(cyclobutylmethoxy)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-[4-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[4-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Compound characteristics
| Compound ID: | V004-7221 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{3-[4-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H26 N4 O5 |
| Smiles: | C1CC(C1)COc1ccc(cc1)C1NN=C(CCC(NCc2ccc3c(c2)OCO3)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.761 |
| logD: | 1.8197 |
| logSw: | -3.3368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.646 |
| InChI Key: | AMGZJLHQVFOPEL-UHFFFAOYSA-N |