3-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | 6197-5917 |
| Compound Name: | 3-propyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 249.33 |
| Molecular Formula: | C12 H15 N3 O S |
| Smiles: | CCCN1C(c2c3CCCCc3sc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.227 |
| logD: | 3.227 |
| logSw: | -3.2806 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.006 |
| InChI Key: | PCBGMBZBKSAABK-UHFFFAOYSA-N |