2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | D243-0102 |
| Compound Name: | 2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(4-methoxy-2-nitrophenyl)acetamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C22 H25 N5 O5 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CC(Nc4ccc(cc4[N+]([O-])=O)OC)=O)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.236 |
| logD: | 5.2242 |
| logSw: | -5.2197 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.831 |
| InChI Key: | QSZGQBSFZBWVTH-GFCCVEGCSA-N |