9-tert-butyl-2-(4-nitrophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-tert-butyl-2-(4-nitrophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-tert-butyl-2-(4-nitrophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-2687 |
| Compound Name: | 9-tert-butyl-2-(4-nitrophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC(C)(C)C1CCc2c3c4nc(c5ccc(cc5)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5813 |
| logD: | 5.5812 |
| logSw: | -5.6329 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.957 |
| InChI Key: | HGMKAGJPCHTEKM-CYBMUJFWSA-N |