3-acetamido-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-methylbenzamide
Chemical Structure Depiction of
3-acetamido-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-methylbenzamide
3-acetamido-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-methylbenzamide
Compound characteristics
| Compound ID: | L470-0603 |
| Compound Name: | 3-acetamido-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2-methylbenzamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C21 H27 N3 O4 S2 |
| Smiles: | CC(Nc1cccc(C(NCc2ccc(s2)S(N2CCCCCC2)(=O)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0646 |
| logD: | 3.0645 |
| logSw: | -3.5817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.276 |
| InChI Key: | NIKGVNFOCOFEDT-UHFFFAOYSA-N |