propan-2-yl 3-[2-(7-methyl-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
propan-2-yl 3-[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
propan-2-yl 3-[2-(7-methyl-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: | D243-0325 |
| Compound Name: | propan-2-yl 3-[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | CC1CCc2c3C(N(CC(Nc4cccc(c4)C(=O)OC(C)C)=O)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8444 |
| logD: | 4.8444 |
| logSw: | -4.6924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.338 |
| InChI Key: | BMIATYZEBBLJMI-CYBMUJFWSA-N |