N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-2729 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | CC1=NN(CCCC(NCCC2CCCCC=2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.316 |
| logD: | 2.3146 |
| logSw: | -2.8111 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.878 |
| InChI Key: | FCAHZVMNLOZANK-UHFFFAOYSA-N |