ethyl 1-acetyl-5-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)-1,2,5,6-tetrahydro-1,2,4,5-tetrazine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-acetyl-5-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)-1,2,5,6-tetrahydro-1,2,4,5-tetrazine-3-carboxylate
ethyl 1-acetyl-5-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)-1,2,5,6-tetrahydro-1,2,4,5-tetrazine-3-carboxylate
Compound characteristics
| Compound ID: | 5868-0141 |
| Compound Name: | ethyl 1-acetyl-5-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)-1,2,5,6-tetrahydro-1,2,4,5-tetrazine-3-carboxylate |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C21 H23 Cl N4 O3 |
| Smiles: | CCOC(C1=NN(C(c2ccc(C)cc2)N(C(C)=O)N1C)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8958 |
| logD: | 4.3178 |
| logSw: | -5.068 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.004 |
| InChI Key: | ADAGQZFKWSSCLU-HXUWFJFHSA-N |