N-benzyl-2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-benzyl-2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
Compound ID: | V018-7446 |
Compound Name: | N-benzyl-2-(4-chlorophenyl)-4-ethyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
Molecular Weight: | 384.82 |
Molecular Formula: | C19 H17 Cl N4 O3 |
Smiles: | CCN1C(C(C(NCc2ccccc2)=O)=NN(C1=O)c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 2.972 |
logD: | 2.9466 |
logSw: | -3.5515 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.655 |
InChI Key: | FTHNXDOCGUTFHX-UHFFFAOYSA-N |