1-{2-chloro-5-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{2-chloro-5-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane
1-{2-chloro-5-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane
Compound characteristics
| Compound ID: | J057-0316 |
| Compound Name: | 1-{2-chloro-5-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}azepane |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C21 H22 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1)c1nnc(c2ccc(c(c2)S(N2CCCCCC2)(=O)=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.414 |
| logD: | 4.414 |
| logSw: | -4.5856 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.068 |
| InChI Key: | BSOOPTSWNOCGFR-UHFFFAOYSA-N |