4-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-0417 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-[(pyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 507.93 |
| Molecular Formula: | C25 H22 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)N1C(N(Cc2cccc(c2)[Cl])C(C(C(NCc2ccccn2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0583 |
| logD: | 3.0361 |
| logSw: | -3.4843 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.462 |
| InChI Key: | LZWZNXXLPSEZFF-UHFFFAOYSA-N |