methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrole-2-carboxylate
methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E511-3545 |
| Compound Name: | methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 320.36 |
| Molecular Formula: | C15 H16 N2 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3195 |
| logD: | 2.3195 |
| logSw: | -2.9093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.941 |
| InChI Key: | ORIGULZUQHGDIO-UHFFFAOYSA-N |