ethyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperidine-1-sulfonyl}-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperidine-1-sulfonyl}-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperidine-1-sulfonyl}-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G937-2116 |
| Compound Name: | ethyl 4-{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]piperidine-1-sulfonyl}-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C25 H33 N3 O7 S |
| Smiles: | CCn1c(C)c(C(=O)OCC)c(c1C)S(N1CCCC(C1)C(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4558 |
| logD: | 1.455 |
| logSw: | -2.5469 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.245 |
| InChI Key: | NBEVMEHYBDWUMH-SFHVURJKSA-N |