N-[3-(methylsulfanyl)phenyl]-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C201-1222 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C20 H19 N5 O S3 |
| Smiles: | CSc1cccc(c1)NC(CSc1nnc2c3c4CCCCc4sc3N=Cn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.926 |
| logD: | 3.926 |
| logSw: | -4.205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.984 |
| InChI Key: | QSBKLBUMOOYWRE-UHFFFAOYSA-N |