butyl 7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
butyl 7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
butyl 7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0263 |
| Compound Name: | butyl 7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C16 H18 Cl N5 O2 |
| Smiles: | CCCCOC(C1C(c2ccc(cc2)[Cl])n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6689 |
| logD: | 2.7122 |
| logSw: | -4.2322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.515 |
| InChI Key: | XXELQCVQRFKJMB-AWEZNQCLSA-N |