3-[(2-chloro-6-fluorophenyl)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]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | 6197-5960 |
| Compound Name: | 3-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 349.81 |
| Molecular Formula: | C16 H13 Cl F N3 O S |
| Smiles: | C1CCc2c(C1)c1C(N(Cc3c(cccc3[Cl])F)N=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5602 |
| logD: | 4.5602 |
| logSw: | -4.8541 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.756 |
| InChI Key: | YKCPQKMLDJVRNP-UHFFFAOYSA-N |