4-[(2-chlorophenyl)methyl]-N,N-diethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)methyl]-N,N-diethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(2-chlorophenyl)methyl]-N,N-diethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V013-9430 |
| Compound Name: | 4-[(2-chlorophenyl)methyl]-N,N-diethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Smiles: | CCN(CC)C(C1C(N(Cc2ccccc2[Cl])C(N(c2ccccc2)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2501 |
| logD: | 3.2501 |
| logSw: | -3.3238 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.177 |
| InChI Key: | XBNKKGVYTCTSIP-UHFFFAOYSA-N |