4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]isoquinolin-1(2H)-one
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | Y042-7247 |
| Compound Name: | 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C21 H18 N4 O2 |
| Smiles: | C1C[C@@H](c2nc3ccccc3[nH]2)N(C1)C(C1=CNC(c2ccccc12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0445 |
| logD: | 2.0247 |
| logSw: | -2.7884 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.461 |
| InChI Key: | YSYLEWZVRGXKIB-SFHVURJKSA-N |