N-[2-(dimethylamino)ethyl]-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
N-[2-(dimethylamino)ethyl]-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V013-7130 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2cccc(C)c2)C(C(C(NCCN(C)C)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9709 |
| logD: | 2.8537 |
| logSw: | -3.9408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.637 |
| InChI Key: | RENPHEVHQRFREZ-UHFFFAOYSA-N |