ethyl 1,2,5-trimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1,2,5-trimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate
ethyl 1,2,5-trimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G937-0520 |
| Compound Name: | ethyl 1,2,5-trimethyl-4-(4-{[3-(methylsulfanyl)phenyl]carbamoyl}piperidine-1-sulfonyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 493.64 |
| Molecular Formula: | C23 H31 N3 O5 S2 |
| Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCC(CC1)C(Nc1cccc(c1)SC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4099 |
| logD: | 2.4099 |
| logSw: | -2.9537 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.573 |
| InChI Key: | BCCMVHVYRKEYRH-UHFFFAOYSA-N |