2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(5-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(5-chloro-2-methylphenyl)acetamide
2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F815-0943 |
| Compound Name: | 2-(9-tert-butyl-3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(5-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 484.02 |
| Molecular Formula: | C24 H26 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(N2C=Nc3c(C2=N1)c1CCC(Cc1s3)C(C)(C)C)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2331 |
| logD: | 5.233 |
| logSw: | -5.9143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.962 |
| InChI Key: | SDSHLLDRMHIVSF-CQSZACIVSA-N |