N-[3-(azepan-1-yl)propyl]-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[3-(azepan-1-yl)propyl]-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | G674-0744 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 419.91 |
| Molecular Formula: | C20 H26 Cl N5 O3 |
| Smiles: | CN1C(C(C(NCCCN2CCCCCC2)=O)=NN(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5518 |
| logD: | -0.0188 |
| logSw: | -3.441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.851 |
| InChI Key: | RTUWXZOOMSEMNL-UHFFFAOYSA-N |