N-(4-acetylphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-(4-acetylphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | F798-0543 |
Compound Name: | N-(4-acetylphenyl)-2-({5-oxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
Molecular Weight: | 495.6 |
Molecular Formula: | C22 H17 N5 O3 S3 |
Smiles: | CC(c1ccc(cc1)NC(CSc1nnc2N(Cc3cccs3)C(c3c(ccs3)n12)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.306 |
logD: | 3.3058 |
logSw: | -3.551 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.325 |
InChI Key: | VPTWBSFJEPNNQR-UHFFFAOYSA-N |