methyl 6-acetyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-acetyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-acetyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8013-1128 |
| Compound Name: | methyl 6-acetyl-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 378.18 |
| Molecular Formula: | C14 H12 Br N5 O3 |
| Smiles: | CC(C1C(c2ccc(cc2)[Br])n2c(NC=1C(=O)OC)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0017 |
| logD: | -0.2467 |
| logSw: | -2.4836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.968 |
| InChI Key: | KPXIXMSIKOTNQI-LBPRGKRZSA-N |