methyl 2-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
methyl 2-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | D243-0115 |
| Compound Name: | methyl 2-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CC(Nc4ccccc4C(=O)OC)=O)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8161 |
| logD: | 4.8097 |
| logSw: | -4.6176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.381 |
| InChI Key: | MQWVANDXRDVUJD-CYBMUJFWSA-N |