3-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | 6197-5962 |
| Compound Name: | 3-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C17 H17 N3 O S |
| Smiles: | Cc1ccccc1CN1C(c2c3CCCCc3sc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7034 |
| logD: | 4.7034 |
| logSw: | -4.5653 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.756 |
| InChI Key: | POGXLXKQHNRPLP-UHFFFAOYSA-N |