rel-(1R,4S,5S)-N-(cyclopropylmethyl)-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxy-1-[(3-methylphenyl)methoxy]cyclohexane-1-carboxamide
Chemical Structure Depiction of
rel-(1R,4S,5S)-N-(cyclopropylmethyl)-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxy-1-[(3-methylphenyl)methoxy]cyclohexane-1-carboxamide
rel-(1R,4S,5S)-N-(cyclopropylmethyl)-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxy-1-[(3-methylphenyl)methoxy]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | V027-4082 |
| Compound Name: | rel-(1R,4S,5S)-N-(cyclopropylmethyl)-3-[(2,4-difluorophenyl)methoxy]-4,5-dihydroxy-1-[(3-methylphenyl)methoxy]cyclohexane-1-carboxamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C26 H31 F2 N O5 |
| Smiles: | Cc1cccc(CO[C@@]2(CC([C@@H]([C@@H](C2)O)O)OCc2ccc(cc2F)F)C(NCC2CC2)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0674 |
| logD: | 4.0674 |
| logSw: | -4.2209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.335 |
| InChI Key: | NCKHZXCJZBOTAA-BBTRSQCDSA-N |