3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0374 |
| Compound Name: | 3-[4-(2-methylphenoxy)butyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C20 H23 N3 O2 S |
| Smiles: | Cc1ccccc1OCCCCN1C(c2c3CCCCc3sc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1102 |
| logD: | 5.1102 |
| logSw: | -5.0041 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.238 |
| InChI Key: | DPBKQNRUVKHGRG-UHFFFAOYSA-N |