N-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamide
N-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | K786-0115 |
| Compound Name: | N-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C22 H35 N3 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCCC(NCCCN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1998 |
| logD: | -1.4288 |
| logSw: | -2.0657 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.098 |
| InChI Key: | WVSBAVHYZPJFOR-UHFFFAOYSA-N |