N-[3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-4-methylbenzamide
N-[3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | 3448-0822 |
| Compound Name: | N-[3-(azepan-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-4-methylbenzamide |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | Cc1ccc(cc1)C(NC(=C\c1cccs1)\C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1997 |
| logD: | 3.5518 |
| logSw: | -4.0581 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.161 |
| InChI Key: | ITJLLWNGLXRQNC-UHFFFAOYSA-N |