N-(3,5-dimethoxyphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(3,5-dimethoxyphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-0043 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C18 H16 N4 O3 S2 |
| Smiles: | COc1cc(cc(c1)OC)NC(CSc1c2cc3c(ccs3)n2cnn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.102 |
| logD: | 3.1012 |
| logSw: | -3.4031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.18 |
| InChI Key: | CKASQUJCBPQVLO-UHFFFAOYSA-N |