N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C200-7986 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | C1CCC(CCNC(CN2C(N3C(=N2)N(Cc2ccco2)C(c2c3ccs2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6037 |
| logD: | 2.6037 |
| logSw: | -2.974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.208 |
| InChI Key: | IPEZJLFCUVLRFI-UHFFFAOYSA-N |