methyl 3-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
methyl 3-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Compound characteristics
| Compound ID: | D243-0265 |
| Compound Name: | methyl 3-[(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4cccc(c4)C(=O)OC)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4982 |
| logD: | 5.4982 |
| logSw: | -5.565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.929 |
| InChI Key: | LZALWEZEWNBUEI-OAHLLOKOSA-N |