methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenoxy}sulfonyl)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenoxy}sulfonyl)thiophene-2-carboxylate
methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenoxy}sulfonyl)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | V030-7449 |
| Compound Name: | methyl 3-({2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenoxy}sulfonyl)thiophene-2-carboxylate |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C21 H17 N O8 S3 |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccccc1OS(c1ccsc1C(=O)OC)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0282 |
| logD: | 3.0282 |
| logSw: | -3.4981 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 104.125 |
| InChI Key: | OBKUDFZSWSFOBM-UHFFFAOYSA-N |