methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenoxy]sulfonyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenoxy]sulfonyl}thiophene-2-carboxylate
methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenoxy]sulfonyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V030-7017 |
| Compound Name: | methyl 3-{[2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenoxy]sulfonyl}thiophene-2-carboxylate |
| Molecular Weight: | 463.91 |
| Molecular Formula: | C20 H14 Cl N O6 S2 |
| Smiles: | Cc1ccc(c(c1)c1nc2cc(ccc2o1)[Cl])OS(c1ccsc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8545 |
| logD: | 4.8545 |
| logSw: | -4.8515 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.089 |
| InChI Key: | GXQDBMBFGBILAS-UHFFFAOYSA-N |