N-[(2-chlorophenyl)methyl]-4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(2-chlorophenyl)methyl]-4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-4358 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C23 H25 Cl N4 O2 S |
| Smiles: | CCC1=NN(CCCC(NCc2ccccc2[Cl])=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2005 |
| logD: | 4.1848 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.936 |
| InChI Key: | KMUIIBDJSZSSTK-UHFFFAOYSA-N |