7-tert-butyl-3-(2-oxo-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-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-3-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0219 |
| Compound Name: | 7-tert-butyl-3-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CC(c4ccccc4)=O)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8865 |
| logD: | 4.8865 |
| logSw: | -4.745 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.002 |
| InChI Key: | KVIGNOKGNRUKFR-CQSZACIVSA-N |