N-[(2-chlorophenyl)methyl]-2-(8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-(8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(2-chlorophenyl)methyl]-2-(8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-0037 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-(8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C17 H13 Cl N4 O2 S |
| Smiles: | C(c1ccccc1[Cl])NC(CN1C(c2cc3c(ccs3)n2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4369 |
| logD: | 2.4369 |
| logSw: | -3.2648 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.173 |
| InChI Key: | UMKKKVXGIWUPBH-UHFFFAOYSA-N |