methyl 1-{3-[(adamantan-1-yl)oxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{3-[(adamantan-1-yl)oxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
methyl 1-{3-[(adamantan-1-yl)oxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
Compound characteristics
| Compound ID: | 8018-2595 |
| Compound Name: | methyl 1-{3-[(adamantan-1-yl)oxy]propyl}-5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C28 H33 N O4 |
| Smiles: | Cc1c(C(=O)OC)c2cc(c3ccccc3c2n1CCCOC12CC3CC(CC(C3)C2)C1)O |
| Stereo: | ACHIRAL |
| logP: | 5.9275 |
| logD: | 5.9232 |
| logSw: | -5.436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.904 |
| InChI Key: | WZCPOQLNBMYCDI-UHFFFAOYSA-N |