1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane
1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane
Compound characteristics
Compound ID: | J057-0474 |
Compound Name: | 1-{5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzene-1-sulfonyl}azepane |
Molecular Weight: | 447.94 |
Molecular Formula: | C21 H22 Cl N3 O4 S |
Smiles: | COc1ccc(cc1S(N1CCCCCC1)(=O)=O)c1nnc(c2ccccc2[Cl])o1 |
Stereo: | ACHIRAL |
logP: | 4.2735 |
logD: | 4.2735 |
logSw: | -4.4586 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 70.155 |
InChI Key: | BGPDMERKKRXPJX-UHFFFAOYSA-N |