N-[2-(4-chlorophenyl)ethyl]-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-(4-chlorophenyl)ethyl]-2-(8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[2-(4-chlorophenyl)ethyl]-2-(8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-0041 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 386.86 |
| Molecular Formula: | C18 H15 Cl N4 O2 S |
| Smiles: | C(CNC(CN1C(c2cc3c(ccs3)n2C=N1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0243 |
| logD: | 2.0243 |
| logSw: | -3.1249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.015 |
| InChI Key: | SIRGZESQYPDLBQ-UHFFFAOYSA-N |