N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-1052 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C20 H19 Cl N4 O3 S2 |
| Smiles: | CCc1nnc(c2cc3c(ccs3)n12)SCC(Nc1cc(c(cc1OC)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0397 |
| logD: | 4.0279 |
| logSw: | -4.3133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.026 |
| InChI Key: | XIBPEEORNLEQLH-UHFFFAOYSA-N |