methyl 1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Chemical Structure Depiction of
methyl 1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
methyl 1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Compound characteristics
| Compound ID: | D396-0115 |
| Compound Name: | methyl 1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | COC(c1c(c2c3CCCCc3c(nc2s1)N1CCCC1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2245 |
| logD: | 4.2237 |
| logSw: | -4.3972 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.191 |
| InChI Key: | CGXSSQLRRKYVBR-UHFFFAOYSA-N |