methyl 7-(4-ethoxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 7-(4-ethoxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 7-(4-ethoxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 6047-0685 |
Compound Name: | methyl 7-(4-ethoxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
Molecular Weight: | 419.44 |
Molecular Formula: | C22 H21 N5 O4 |
Smiles: | CCOc1ccc(cc1)C1C(=C(C(=O)OC)Nc2nnnn12)C(c1ccc(C)cc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6415 |
logD: | 2.8674 |
logSw: | -3.6518 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.732 |
InChI Key: | VJLDNKIRYQMOOZ-LJQANCHMSA-N |