N-(3,5-dimethylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
N-(3,5-dimethylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | L908-0181 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-(2-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3(2H)-yl)acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C(N=C2c3c4CCCCc4sc3N=CN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8511 |
| logD: | 0.2319 |
| logSw: | -4.0986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.94 |
| InChI Key: | CEBXZRQZYYQZHW-UHFFFAOYSA-N |