ethyl 4-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
ethyl 4-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0569 |
| Compound Name: | ethyl 4-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C17 H23 N5 O5 S3 |
| Smiles: | CCOC(c1cc(cn1C)S(N1CCCC1C(Nc1nnc(SCC)s1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2097 |
| logD: | 2.1548 |
| logSw: | -2.7834 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.847 |
| InChI Key: | JJSFXXUJSSCPEA-LBPRGKRZSA-N |