N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyanobenzamide
Chemical Structure Depiction of
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyanobenzamide
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyanobenzamide
Compound characteristics
| Compound ID: | L470-0644 |
| Compound Name: | N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-4-cyanobenzamide |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C19 H21 N3 O3 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(CNC(c2ccc(C#N)cc2)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2034 |
| logD: | 3.2034 |
| logSw: | -3.4692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.768 |
| InChI Key: | ILLOAWOTSKEANC-UHFFFAOYSA-N |