2-(5-methyl-6-{(3E,5E)-6-[4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl}oxan-2-yl)propanoic acid
Chemical Structure Depiction of
2-(5-methyl-6-{(3E,5E)-6-[4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl}oxan-2-yl)propanoic acid
2-(5-methyl-6-{(3E,5E)-6-[4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl}oxan-2-yl)propanoic acid
Compound characteristics
| Compound ID: | 3013-0065 |
| Compound Name: | 2-(5-methyl-6-{(3E,5E)-6-[4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl}oxan-2-yl)propanoic acid |
| Molecular Weight: | 465.63 |
| Molecular Formula: | C29 H39 N O4 |
| Smiles: | CC/C(=C\C=C\C1C=CC2CCCC2C1C(c1ccc[nH]1)=O)C1C(C)CCC(C(C)C(O)=O)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5772 |
| logD: | 2.9472 |
| logSw: | -5.1893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.165 |
| InChI Key: | HSZFOQSMGNAIJM-UHFFFAOYSA-N |