methyl 6-benzoyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-benzoyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-benzoyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 6047-0650 |
Compound Name: | methyl 6-benzoyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
Molecular Weight: | 403.44 |
Molecular Formula: | C22 H21 N5 O3 |
Smiles: | CC(C)c1ccc(cc1)C1C(=C(C(=O)OC)Nc2nnnn12)C(c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0822 |
logD: | 3.3082 |
logSw: | -4.1881 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.609 |
InChI Key: | UTLJWBCQCOOPFM-LJQANCHMSA-N |