N-(5-chloro-2,4-dimethoxyphenyl)-2-[(thieno[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-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-0116 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 434.92 |
| Molecular Formula: | C18 H15 Cl N4 O3 S2 |
| Smiles: | COc1cc(c(cc1NC(CSc1c2cc3c(ccs3)n2cnn1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.2617 |
| logD: | 3.2519 |
| logSw: | -3.528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.656 |
| InChI Key: | KLUAQGYWVJDUNS-UHFFFAOYSA-N |