N-benzyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide
Chemical Structure Depiction of
N-benzyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide
N-benzyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide
Compound characteristics
| Compound ID: | C785-3728 |
| Compound Name: | N-benzyl-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-methylacetamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | CCC1=NN(CC(N(C)Cc2ccccc2)=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.906 |
| logD: | 3.906 |
| logSw: | -3.8977 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.381 |
| InChI Key: | SSHXDFLIKTWFNI-UHFFFAOYSA-N |