4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
Chemical Structure Depiction of
4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
Compound characteristics
| Compound ID: | C785-2698 |
| Compound Name: | 4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CC1=NN(CCCC(NCCCN2CCCC2=O)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1642 |
| logD: | -0.1657 |
| logSw: | -2.1683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.198 |
| InChI Key: | LNVITQMTBCLEEN-UHFFFAOYSA-N |