butyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
butyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
butyl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | F103-0660 |
| Compound Name: | 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: | CCCCOC(C1C(c2ccc(cc2)SC)n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7935 |
| logD: | 2.8368 |
| logSw: | -3.8123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.515 |
| InChI Key: | WMMJXILDPLBNAN-HNNXBMFYSA-N |