methyl 1-{4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-{4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}piperidine-4-carboxylate
methyl 1-{4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | J057-1540 |
| Compound Name: | methyl 1-{4-chloro-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzene-1-sulfonyl}piperidine-4-carboxylate |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C22 H22 Cl N3 O6 S |
| Smiles: | COC(C1CCN(CC1)S(c1ccc(c(c1)c1nnc(c2ccc(cc2)OC)o1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6401 |
| logD: | 3.6401 |
| logSw: | -4.1488 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.911 |
| InChI Key: | DTHMGZKZMBENRY-UHFFFAOYSA-N |