prop-2-en-1-yl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3737 |
| Compound Name: | prop-2-en-1-yl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C13 H13 N5 O2 S |
| Smiles: | CC1=C(C(c2cccs2)n2c(N1)nnn2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7181 |
| logD: | 0.8535 |
| logSw: | -2.438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.533 |
| InChI Key: | XLFLXKCAXUSVJQ-NSHDSACASA-N |