7-tert-butyl-3-[2-(4-methylphenoxy)ethyl]-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-(4-methylphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-3-[2-(4-methylphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0275 |
| Compound Name: | 7-tert-butyl-3-[2-(4-methylphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | Cc1ccc(cc1)OCCN1C(c2c3CCC(Cc3sc2N=N1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1424 |
| logD: | 6.1424 |
| logSw: | -5.4927 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.152 |
| InChI Key: | VBBQXDYIWOBXBB-OAHLLOKOSA-N |