7-tert-butyl-3-(2-phenylethyl)-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-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0131 |
| Compound Name: | 7-tert-butyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 367.51 |
| Molecular Formula: | C21 H25 N3 O S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CCc4ccccc4)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7315 |
| logD: | 5.7315 |
| logSw: | -5.5433 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.734 |
| InChI Key: | PKDFYNONGOSGJV-OAHLLOKOSA-N |