7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0343 |
| Compound Name: | 7-methyl-3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CC1CCc2c3C(N(CCCCOc4ccccc4C)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5441 |
| logD: | 5.5441 |
| logSw: | -5.4507 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.238 |
| InChI Key: | NIUNMYDIGORBIS-CQSZACIVSA-N |