[1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl](3-nitrophenyl)methanone
[1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D396-0140 |
| Compound Name: | [1-amino-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | C1CCc2c(C1)c1c(c(C(c3cccc(c3)[N+]([O-])=O)=O)sc1nc2N1CCCC1)N |
| Stereo: | ACHIRAL |
| logP: | 5.7224 |
| logD: | 5.7223 |
| logSw: | -6.082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.866 |
| InChI Key: | MHYNZGMBVHWEQS-UHFFFAOYSA-N |