ethyl 1-ethyl-2,5-dimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-2,5-dimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate
ethyl 1-ethyl-2,5-dimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G937-0913 |
| Compound Name: | ethyl 1-ethyl-2,5-dimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 507.67 |
| Molecular Formula: | C24 H33 N3 O5 S2 |
| Smiles: | CCn1c(C)c(C(=O)OCC)c(c1C)S(N1CCC(CC1)C(Nc1cccc(c1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0278 |
| logD: | 3.0278 |
| logSw: | -3.3597 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.488 |
| InChI Key: | QTODVEJSEJRTFF-UHFFFAOYSA-N |