N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(2-chlorophenyl)prop-2-enamide
Chemical Structure Depiction of
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(2-chlorophenyl)prop-2-enamide
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(2-chlorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | L470-0642 |
| Compound Name: | N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(2-chlorophenyl)prop-2-enamide |
| Molecular Weight: | 438.99 |
| Molecular Formula: | C20 H23 Cl N2 O3 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(CNC(/C=C/c2ccccc2[Cl])=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7886 |
| logD: | 4.7886 |
| logSw: | -4.8369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.499 |
| InChI Key: | BZUVNFDHFKMMBE-UHFFFAOYSA-N |