N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V013-4658 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C29 H28 N4 O5 |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccccc2C)C(C(C(NCc2ccc3c(c2)OCO3)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5202 |
| logD: | 5.5198 |
| logSw: | -5.4041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.774 |
| InChI Key: | CKLFPMOLZAYPQD-UHFFFAOYSA-N |