N-[3-(azepan-1-yl)propyl]-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-[3-(azepan-1-yl)propyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[3-(azepan-1-yl)propyl]-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: | C785-2774 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C22 H31 N5 O2 S |
| Smiles: | CC1=NN(CCCC(NCCCN2CCCCCC2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8104 |
| logD: | -0.8183 |
| logSw: | -2.3936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.999 |
| InChI Key: | MYZALJNHTGCYKD-UHFFFAOYSA-N |