N-(3-chloro-4-fluorophenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-0094 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C16 H10 Cl F N4 O S2 |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)Sc1c2cc3c(ccs3)n2cnn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6931 |
| logD: | 3.6827 |
| logSw: | -4.0213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.093 |
| InChI Key: | PQMPLILFMHYFBG-UHFFFAOYSA-N |