methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenoxy}sulfonyl)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenoxy}sulfonyl)thiophene-2-carboxylate
methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenoxy}sulfonyl)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V004-4872 |
| Compound Name: | methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-nitrophenoxy}sulfonyl)thiophene-2-carboxylate |
| Molecular Weight: | 552.56 |
| Molecular Formula: | C21 H16 N2 O10 S3 |
| Smiles: | CCS(c1ccc2c(c1)nc(c1cc(ccc1OS(c1ccsc1C(=O)OC)(=O)=O)[N+]([O-])=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9777 |
| logD: | 2.9777 |
| logSw: | -3.519 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 137.507 |
| InChI Key: | AWNGJWPTOTYJEW-UHFFFAOYSA-N |