methyl 6-(4-bromobenzoyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydrotetrazolo[1,5-a]pyrimidine-7-carboxylate
Chemical Structure Depiction of
methyl 6-(4-bromobenzoyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydrotetrazolo[1,5-a]pyrimidine-7-carboxylate
methyl 6-(4-bromobenzoyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydrotetrazolo[1,5-a]pyrimidine-7-carboxylate
Compound characteristics
| Compound ID: | 8013-5387 |
| Compound Name: | methyl 6-(4-bromobenzoyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydrotetrazolo[1,5-a]pyrimidine-7-carboxylate |
| Molecular Weight: | 482.34 |
| Molecular Formula: | C22 H20 Br N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C(=O)OC)n2c(N1)nnn2)C(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9137 |
| logD: | 4.9128 |
| logSw: | -4.6726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.497 |
| InChI Key: | BSNPIKQGJTXDSR-SFHVURJKSA-N |