1-(azepan-1-yl)-2-(2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D510-2232 |
| Compound Name: | 1-(azepan-1-yl)-2-(2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)ethan-1-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C24 H29 N3 O3 S |
| Smiles: | COc1ccc(cc1)OCCSc1nc2ccccc2n1CC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.688 |
| logD: | 4.6817 |
| logSw: | -4.2567 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.162 |
| InChI Key: | LBTPVRMBNQOKOT-UHFFFAOYSA-N |