tert-butyl 7-(3-chloro-2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
tert-butyl 7-(3-chloro-2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
tert-butyl 7-(3-chloro-2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | F103-0724 |
| Compound Name: | tert-butyl 7-(3-chloro-2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 365.79 |
| Molecular Formula: | C16 H17 Cl F N5 O2 |
| Smiles: | CC1=C(C(c2cccc(c2F)[Cl])n2c(N1)nnn2)C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7039 |
| logD: | 2.8891 |
| logSw: | -4.1685 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.33 |
| InChI Key: | RGQYFCBGEFIHNR-ZDUSSCGKSA-N |