2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(3-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(3-chloro-2-methylphenyl)acetamide
2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D243-0085 |
| Compound Name: | 2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)-N-(3-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C22 H25 Cl N4 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C(c2c3CCC(Cc3sc2N=N1)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8989 |
| logD: | 5.8988 |
| logSw: | -6.1346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.207 |
| InChI Key: | PEDOGNHRTWKZKI-CYBMUJFWSA-N |