N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F798-0321 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.6 |
| Molecular Formula: | C21 H27 N5 O2 S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c1nnc2SCC(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5733 |
| logD: | 3.5733 |
| logSw: | -3.7668 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.107 |
| InChI Key: | RHQKMRSPHFFQFC-UHFFFAOYSA-N |