7-tert-butyl-3-(2-oxopropyl)-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-oxopropyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-3-(2-oxopropyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0156 |
| Compound Name: | 7-tert-butyl-3-(2-oxopropyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C16 H21 N3 O2 S |
| Smiles: | CC(CN1C(c2c3CCC(Cc3sc2N=N1)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.482 |
| logD: | 3.482 |
| logSw: | -3.6498 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.362 |
| InChI Key: | WFGCFWRGYKEMQQ-SNVBAGLBSA-N |