N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | L470-0659 |
| Compound Name: | N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C21 H26 N2 O4 S2 |
| Smiles: | COc1ccc(/C=C/C(NCc2ccc(s2)S(N2CCCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2404 |
| logD: | 4.2404 |
| logSw: | -4.1389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.043 |
| InChI Key: | HIIMWOHXDJXQNA-UHFFFAOYSA-N |