3-[(2-chloro-6-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[(2-chloro-6-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[(2-chloro-6-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | 6197-5861 |
| Compound Name: | 3-[(2-chloro-6-fluorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 363.84 |
| Molecular Formula: | C17 H15 Cl F N3 O S |
| Smiles: | CC1CCc2c3C(N(Cc4c(cccc4[Cl])F)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9941 |
| logD: | 4.9941 |
| logSw: | -5.2187 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.756 |
| InChI Key: | YWVLAQHEGIKAFI-SECBINFHSA-N |