N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-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-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V006-5888 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 520.93 |
| Molecular Formula: | C26 H21 Cl N4 O6 |
| Smiles: | COc1cccc(c1)N1C(N(Cc2ccccc2[Cl])C(C(C(NCc2ccc3c(c2)OCO3)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2159 |
| logD: | 4.2155 |
| logSw: | -4.5327 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.317 |
| InChI Key: | MKLMEJFYIVBKIN-UHFFFAOYSA-N |