methyl (7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Chemical Structure Depiction of
methyl (7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
methyl (7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate
Compound characteristics
| Compound ID: | D243-0121 |
| Compound Name: | methyl (7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetate |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CC(=O)OC)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5599 |
| logD: | 3.5599 |
| logSw: | -3.7494 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.606 |
| InChI Key: | WFGRQSQOFKNJDU-SECBINFHSA-N |