3-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | 6197-5924 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 331.82 |
| Molecular Formula: | C16 H14 Cl N3 O S |
| Smiles: | C1CCc2c(C1)c1C(N(Cc3ccc(cc3)[Cl])N=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5508 |
| logD: | 4.5508 |
| logSw: | -5.1616 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.756 |
| InChI Key: | JIHWWOBBTHPHHI-UHFFFAOYSA-N |