N-(4-chloro-2-fluorophenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(4-chloro-2-fluorophenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-1188 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 434.94 |
| Molecular Formula: | C19 H16 Cl F N4 O S2 |
| Smiles: | CCc1nnc(c2cc3c(cc(C)s3)n12)SCC(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.953 |
| logD: | 4.9405 |
| logSw: | -4.9073 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.765 |
| InChI Key: | YPPTVBMLWFEOIW-UHFFFAOYSA-N |