4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V009-5484 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C23 H25 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2cccc(c2)[Cl])C(C(C(NCCCOC)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0142 |
| logD: | 4.0141 |
| logSw: | -4.3156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.114 |
| InChI Key: | DAWQSQSCNUSERR-UHFFFAOYSA-N |