{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Chemical Structure Depiction of
{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone
Compound characteristics
| Compound ID: | V008-3880 |
| Compound Name: | {4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(5-nitrofuran-2-yl)methanone |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C24 H25 N7 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)c1ccnc2nc(nn12)N1CCN(CC1)C(c1ccc([N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2468 |
| logD: | 4.2465 |
| logSw: | -4.1723 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.709 |
| InChI Key: | MLYHOVPVNBWDML-UHFFFAOYSA-N |