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)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
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)-N-[4-(propan-2-yl)phenyl]acetamide
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)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | F798-0532 |
| Compound Name: | 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)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C23 H21 N5 O2 S3 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nnc2N(Cc3cccs3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1021 |
| logD: | 5.1021 |
| logSw: | -4.7839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.498 |
| InChI Key: | AZKRWDYLQMLVJO-UHFFFAOYSA-N |