4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V014-5555 |
| Compound Name: | 4-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C24 H25 Cl N4 O4 |
| Smiles: | Cc1cc(C)cc(c1)N1C(N(Cc2cccc(c2)[Cl])C(C(C(NCC2CCCO2)=O)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8724 |
| logD: | 3.8715 |
| logSw: | -4.1895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | GCXCCTZGWOXQIL-HXUWFJFHSA-N |