rel-(3aR,5R,7aS)-5-(benzyloxy)-7-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-(benzyloxy)-7-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-(benzyloxy)-7-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V003-3557 |
| Compound Name: | rel-(3aR,5R,7aS)-5-(benzyloxy)-7-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethylhexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 500.03 |
| Molecular Formula: | C28 H34 Cl N O5 |
| Smiles: | CC1(C)O[C@H]2C(C[C@@](C[C@H]2O1)(C(NCC1CC1)=O)OCc1ccccc1)OCc1cccc(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7031 |
| logD: | 5.7031 |
| logSw: | -5.8565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.339 |
| InChI Key: | AKBNJFWXWSMIFI-UYZKLLHOSA-N |