tert-butyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
tert-butyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
tert-butyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | F103-0497 |
| Compound Name: | tert-butyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C17 H21 N5 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nnn2)C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6262 |
| logD: | 2.6695 |
| logSw: | -3.9169 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.33 |
| InChI Key: | RPQMSYQAILEZPO-AWEZNQCLSA-N |