N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Compound characteristics
| Compound ID: | V001-4665 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide |
| Molecular Weight: | 426.86 |
| Molecular Formula: | C21 H19 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[Cl])C1NN=C(CCC(NCc2ccc3c(c2)OCO3)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9523 |
| logD: | 2.9523 |
| logSw: | -3.5481 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.895 |
| InChI Key: | VGYAYWSGWXMUSI-UHFFFAOYSA-N |