3-benzyl-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-benzyl-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0142 |
| Compound Name: | 3-benzyl-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C20 H23 N3 O S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4ccccc4)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5134 |
| logD: | 5.5134 |
| logSw: | -5.4562 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.756 |
| InChI Key: | VNWQZIIRIDODTM-CQSZACIVSA-N |