ethyl 4-(3-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}piperidine-1-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}piperidine-1-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-(3-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}piperidine-1-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G937-1748 |
| Compound Name: | ethyl 4-(3-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}piperidine-1-sulfonyl)-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C20 H29 N5 O5 S3 |
| Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCCC(C1)C(Nc1nnc(SCC)s1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3867 |
| logD: | 2.3402 |
| logSw: | -2.7226 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.413 |
| InChI Key: | KFWVOWKHTKSJPS-AWEZNQCLSA-N |