1-(azepan-1-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
1-(azepan-1-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | D530-0113 |
| Compound Name: | 1-(azepan-1-yl)-2-[5-(4-methylphenyl)-7-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]ethan-1-one |
| Molecular Weight: | 428.54 |
| Molecular Formula: | C25 H28 N6 O |
| Smiles: | Cc1ccc(cc1)C1=CC(c2ccccc2)n2c(nnn2)N1CC(N1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4952 |
| logD: | 4.4952 |
| logSw: | -4.1855 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.32 |
| InChI Key: | BPGGBRGPUYAUQK-HSZRJFAPSA-N |