rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-4732 |
| Compound Name: | rel-(3aR,5R,7aS)-5-[(3-chlorophenyl)methoxy]-N-(cyclopropylmethyl)-2,2-dimethyl-7-[(4-methylphenyl)methoxy]hexahydro-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 514.06 |
| Molecular Formula: | C29 H36 Cl N O5 |
| Smiles: | Cc1ccc(COC2C[C@@](C[C@@H]3[C@H]2OC(C)(C)O3)(C(NCC2CC2)=O)OCc2cccc(c2)[Cl])cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1265 |
| logD: | 6.1265 |
| logSw: | -6.1493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.339 |
| InChI Key: | VTVLIYRHXOYWAV-OVPKUEOZSA-N |