1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y042-6782 |
| Compound Name: | 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | C1C[C@@H](c2nc3ccccc3[nH]2)N(C1)C(Cc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4148 |
| logD: | 2.4143 |
| logSw: | -2.8001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.593 |
| InChI Key: | AVYAMKFAULFYHC-SFHVURJKSA-N |