2-(3-chloro-4-methylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-chloro-4-methylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V023-5585 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 491.93 |
| Molecular Formula: | C25 H22 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[Cl])N1C(N(Cc2cccc(c2)OC)C(C(C(NCc2ccncc2)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6088 |
| logD: | 3.6001 |
| logSw: | -3.849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.63 |
| InChI Key: | KBSQGMVTAPDXKW-UHFFFAOYSA-N |