7-tert-butyl-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0274 |
| Compound Name: | 7-tert-butyl-3-[2-(4-methoxyphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CCOc4ccc(cc4)OC)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7014 |
| logD: | 5.7014 |
| logSw: | -5.5133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.695 |
| InChI Key: | BKCCDJTXHQFWQU-CQSZACIVSA-N |