prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3861 |
| Compound Name: | prop-2-en-1-yl 5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nnn2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8131 |
| logD: | 2.0768 |
| logSw: | -3.2616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.515 |
| InChI Key: | LGSUBDYLIKNLQR-AWEZNQCLSA-N |