3-amino-2-benzyl-7-nitro-4-(thiophen-2-yl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
3-amino-2-benzyl-7-nitro-4-(thiophen-2-yl)isoquinolin-1(2H)-one
3-amino-2-benzyl-7-nitro-4-(thiophen-2-yl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | 8013-1809 |
| Compound Name: | 3-amino-2-benzyl-7-nitro-4-(thiophen-2-yl)isoquinolin-1(2H)-one |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C20 H15 N3 O3 S |
| Smiles: | C(c1ccccc1)N1C(=C(c2ccc(cc2C1=O)[N+]([O-])=O)c1cccs1)N |
| Stereo: | ACHIRAL |
| logP: | 4.2398 |
| logD: | 4.2398 |
| logSw: | -4.5136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.266 |
| InChI Key: | KVPPDBKACGPXEV-UHFFFAOYSA-N |