3-[4-(4-chlorophenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[4-(4-chlorophenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[4-(4-chlorophenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0217 |
| Compound Name: | 3-[4-(4-chlorophenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 389.9 |
| Molecular Formula: | C19 H20 Cl N3 O2 S |
| Smiles: | C1CCc2c(C1)c1C(N(CCCCOc3ccc(cc3)[Cl])N=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2941 |
| logD: | 5.2941 |
| logSw: | -6.2563 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.152 |
| InChI Key: | STXRBEDTXBMQLL-UHFFFAOYSA-N |