3-[2-(azepan-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[2-(azepan-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0010 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CN1C(c2c3CCCCc3sc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9798 |
| logD: | 2.9798 |
| logSw: | -3.1341 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.479 |
| InChI Key: | YMRKGNCWKOUNIP-UHFFFAOYSA-N |