methyl 4-[rel-(3aR,9bR)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[rel-(3aR,9bR)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoate
methyl 4-[rel-(3aR,9bR)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoate
Compound characteristics
| Compound ID: | J038-2616 |
| Compound Name: | methyl 4-[rel-(3aR,9bR)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]benzoate |
| Molecular Weight: | 388.26 |
| Molecular Formula: | C19 H18 Br N O3 |
| Smiles: | COC(c1ccc(cc1)C1[C@@H]2CCO[C@@H]2c2cc(ccc2N1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4464 |
| logD: | 4.4464 |
| logSw: | -4.4024 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.37 |
| InChI Key: | KOWWQOJMLRCYBR-CFNGDTMJSA-N |