7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0116 |
| Compound Name: | 7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 263.36 |
| Molecular Formula: | C13 H17 N3 O S |
| Smiles: | CC(C)(C)C1CCc2c3C(NN=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6069 |
| logD: | 3.5895 |
| logSw: | -3.8896 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.86 |
| InChI Key: | JEDYJFGZTNVFQL-SSDOTTSWSA-N |