ethyl [(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate
ethyl [(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 5921-0230 |
| Compound Name: | ethyl [(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]acetate |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C19 H21 N3 O2 S2 |
| Smiles: | CCc1c2CCCCc2c2c3c(c(ncn3)SCC(=O)OCC)sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0198 |
| logD: | 5.0197 |
| logSw: | -4.6908 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.731 |
| InChI Key: | IKFKJTDWZCNYLZ-UHFFFAOYSA-N |