4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V026-4690 |
| Compound Name: | 4-benzyl-2-(3,5-dimethylphenyl)-3,5-dioxo-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C27 H26 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)NC(C1C(N(Cc2ccccc2)C(N(c2cc(C)cc(C)c2)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1122 |
| logD: | 5.0972 |
| logSw: | -4.9265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.821 |
| InChI Key: | BBSSSESYNICBRZ-FQEVSTJZSA-N |