methyl 6-(4-methylbenzoyl)-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-(4-methylbenzoyl)-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-(4-methylbenzoyl)-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6047-0680 |
| Compound Name: | methyl 6-(4-methylbenzoyl)-7-[4-(propan-2-yl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C(=O)OC)Nc2nnnn12)C(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6107 |
| logD: | 3.8366 |
| logSw: | -4.3271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.609 |
| InChI Key: | GBCJJUWXIKOSJR-HXUWFJFHSA-N |