methyl 3-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)thiophene-2-carboxylate
methyl 3-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V030-6991 |
| Compound Name: | methyl 3-({4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-2-nitrophenoxy}sulfonyl)thiophene-2-carboxylate |
| Molecular Weight: | 552.56 |
| Molecular Formula: | C21 H16 N2 O10 S3 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccc(c(c1)[N+]([O-])=O)OS(c1ccsc1C(=O)OC)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7341 |
| logD: | 2.7341 |
| logSw: | -3.4139 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 137.206 |
| InChI Key: | VFTXJQYOSOHYCL-UHFFFAOYSA-N |