methyl 4-{4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]piperidine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]piperidine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]piperidine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F639-0241 |
| Compound Name: | methyl 4-{4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]piperidine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C20 H29 N3 O4 S |
| Smiles: | Cc1ccc(C)n1CC1CCN(CC1)S(c1cc(C(=O)OC)n(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5026 |
| logD: | 2.5026 |
| logSw: | -2.6373 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.301 |
| InChI Key: | XRZVGFCIGGGDLK-UHFFFAOYSA-N |