N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-{4-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-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-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-{4-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | V003-9442 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-{4-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C25 H26 N4 O6 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCCC=C)C1NN=C(CCC(NCc2ccc3c(c2)OCO3)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5473 |
| logD: | 2.5473 |
| logSw: | -2.8709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.03 |
| InChI Key: | KRFWIZUKOCZLML-UHFFFAOYSA-N |