N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-bromobenzamide
Chemical Structure Depiction of
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-bromobenzamide
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-bromobenzamide
Compound characteristics
| Compound ID: | L470-0712 |
| Compound Name: | N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-bromobenzamide |
| Molecular Weight: | 457.41 |
| Molecular Formula: | C18 H21 Br N2 O3 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(CNC(c2cccc(c2)[Br])=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3979 |
| logD: | 4.3979 |
| logSw: | -4.135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.712 |
| InChI Key: | HBLVPRLHOQLQFW-UHFFFAOYSA-N |