octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0560 |
| Compound Name: | octyl 7-[4-(dimethylamino)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C22 H32 N6 O2 |
| Smiles: | CCCCCCCCOC(C1C(c2ccc(cc2)N(C)C)n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2021 |
| logD: | 4.2455 |
| logSw: | -4.9424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.319 |
| InChI Key: | OHISWYPLMNIBRD-FQEVSTJZSA-N |