methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-6-methylphenoxy}sulfonyl)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-6-methylphenoxy}sulfonyl)thiophene-2-carboxylate
methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-6-methylphenoxy}sulfonyl)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V030-7055 |
| Compound Name: | methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-6-methylphenoxy}sulfonyl)thiophene-2-carboxylate |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C22 H19 N O8 S3 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1cccc(C)c1OS(c1ccsc1C(=O)OC)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5413 |
| logD: | 3.5413 |
| logSw: | -3.7737 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 104.212 |
| InChI Key: | YNRGVLMLNMXOBX-UHFFFAOYSA-N |