methyl 6-acetyl-7-(4-chlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-acetyl-7-(4-chlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-acetyl-7-(4-chlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6047-0617 |
| Compound Name: | methyl 6-acetyl-7-(4-chlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 333.73 |
| Molecular Formula: | C14 H12 Cl N5 O3 |
| Smiles: | CC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C(=O)OC)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7626 |
| logD: | -0.4858 |
| logSw: | -2.8876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.968 |
| InChI Key: | JKDTWJQFFBZRAN-LBPRGKRZSA-N |