1-(3-chloro-4-fluorobenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-(3-chloro-4-fluorobenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
1-(3-chloro-4-fluorobenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J005-0566 |
| Compound Name: | 1-(3-chloro-4-fluorobenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane |
| Molecular Weight: | 387.92 |
| Molecular Formula: | C17 H19 Cl F N O2 S2 |
| Smiles: | Cc1ccsc1C1CCCCCN1S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0884 |
| logD: | 5.0884 |
| logSw: | -5.4559 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.498 |
| InChI Key: | QRRLQPKFXWVNKR-INIZCTEOSA-N |