3-[3-(2H-1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-phenylpropyl)propanamide
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-phenylpropyl)propanamide
3-[3-(2H-1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-phenylpropyl)propanamide
Compound characteristics
| Compound ID: | V021-8991 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-(3-phenylpropyl)propanamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Salt: | not_available |
| Smiles: | C(Cc1ccccc1)CNC(CCC1C(N=C(c2ccc3c(c2)OCO3)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5129 |
| logD: | 2.5129 |
| logSw: | -3.0377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.737 |
| InChI Key: | CHVVVWNHRBMKPA-UHFFFAOYSA-N |