methyl 6-(4-chlorobenzoyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-(4-chlorobenzoyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-(4-chlorobenzoyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8013-0890 |
| Compound Name: | methyl 6-(4-chlorobenzoyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 395.8 |
| Molecular Formula: | C19 H14 Cl N5 O3 |
| Smiles: | COC(C1=C(C(c2ccccc2)n2c(N1)nnn2)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4481 |
| logD: | 2.6741 |
| logSw: | -4.1115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.609 |
| InChI Key: | OHZLAWKDSRRCRP-INIZCTEOSA-N |