N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-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-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-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-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C200-7983 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | C1CCC(CCNC(CN2C(N3C(=N2)N(Cc2cccs2)C(c2c3ccs2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0066 |
| logD: | 3.0066 |
| logSw: | -3.3486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.477 |
| InChI Key: | NHHPNOMLVPFSHJ-UHFFFAOYSA-N |