ethyl 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-sulfonyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-sulfonyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}piperidine-1-sulfonyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G937-2040 |
| Compound Name: | ethyl 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]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(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0852 |
| logD: | 2.0852 |
| logSw: | -2.8784 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.859 |
| InChI Key: | AACHFDAPQLCOKE-IBGZPJMESA-N |