N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-chlorophenyl)-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-chlorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-chlorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Compound characteristics
| Compound ID: | V001-4813 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-chlorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide |
| Molecular Weight: | 412.83 |
| Molecular Formula: | C20 H17 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C1C(N=C(c2cccc(c2)[Cl])NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4151 |
| logD: | 0.3207 |
| logSw: | -3.4425 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.895 |
| InChI Key: | WWUUCZJRIISTGE-UHFFFAOYSA-N |