octyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
octyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0411 |
| Compound Name: | octyl 7-(2-chloro-6-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C20 H25 Cl F N5 O2 |
| Smiles: | CCCCCCCCOC(C1C(c2c(cccc2[Cl])F)n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4896 |
| logD: | 4.8086 |
| logSw: | -5.8592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.515 |
| InChI Key: | VKOYFPOUMOSNIK-SFHVURJKSA-N |