3-{3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-{3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl}quinazolin-4(3H)-one
3-{3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-6778 |
| Compound Name: | 3-{3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl}quinazolin-4(3H)-one |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | C1C[C@@H](c2nc3ccccc3[nH]2)N(C1)C(CCN1C=Nc2ccccc2C1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5595 |
| logD: | 1.5591 |
| logSw: | -2.3462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.789 |
| InChI Key: | CIRBOYZFVAAHIL-IBGZPJMESA-N |