3-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0238 |
| Compound Name: | 3-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C18 H19 N3 O2 S |
| Smiles: | Cc1cccc(c1)OCCN1C(c2c3CCCCc3sc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.653 |
| logD: | 4.653 |
| logSw: | -4.5801 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.152 |
| InChI Key: | DXTKGEKABLUUKF-UHFFFAOYSA-N |