3-[2-(azepan-1-yl)-2-oxoethyl]-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-[2-(azepan-1-yl)-2-oxoethyl]-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[2-(azepan-1-yl)-2-oxoethyl]-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0098 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C21 H30 N4 O2 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CC(N4CCCCCC4)=O)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5371 |
| logD: | 4.5371 |
| logSw: | -4.3061 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.479 |
| InChI Key: | SCWDVFNEWUAPCJ-CQSZACIVSA-N |