octyl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
octyl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0496 |
| Compound Name: | octyl 5-methyl-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C18 H25 N5 O2 S |
| Smiles: | CCCCCCCCOC(C1C(c2cccs2)n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7363 |
| logD: | 3.6416 |
| logSw: | -4.5297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.533 |
| InChI Key: | KRGGNZQDUAYOGN-INIZCTEOSA-N |