3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzimidazol-5-yl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzimidazol-5-yl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one
3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzimidazol-5-yl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | L700-0698 |
| Compound Name: | 3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzimidazol-5-yl}-1,2,4-oxadiazol-5-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C27 H25 N5 O4 |
| Smiles: | C1CCCN(CC1)C(CCn1cnc2cc(ccc12)c1nc(C2=Cc3ccccc3OC2=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9395 |
| logD: | 3.9394 |
| logSw: | -4.2279 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.453 |
| InChI Key: | SSLFJOOLBSEHIN-UHFFFAOYSA-N |