2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
Compound ID: | G674-0467 |
Compound Name: | 2-(4-chlorophenyl)-4-methyl-3,5-dioxo-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
Molecular Weight: | 398.85 |
Molecular Formula: | C20 H19 Cl N4 O3 |
Smiles: | CC(C)c1ccc(cc1)NC(C1C(N(C)C(N(c2ccc(cc2)[Cl])N=1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4686 |
logD: | 4.3735 |
logSw: | -4.8665 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.373 |
InChI Key: | RRDKYPRYJZJSMQ-UHFFFAOYSA-N |