N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0821 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C23 H31 N5 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(NCCC3CCCCC=3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0648 |
| logD: | 3.0648 |
| logSw: | -3.4865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.501 |
| InChI Key: | ZYRUNAVYIMXGJU-UHFFFAOYSA-N |