(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[2-(3-methylanilino)-2-oxoethyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Chemical Structure Depiction of
(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[2-(3-methylanilino)-2-oxoethyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[2-(3-methylanilino)-2-oxoethyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | 4200-0004 |
| Compound Name: | (3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyl-N-[2-(3-methylanilino)-2-oxoethyl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C21 H28 N2 O7 |
| Smiles: | Cc1cccc(c1)NC(CNC(C1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(C)(C)O2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3995 |
| logD: | 2.3995 |
| logSw: | -2.813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.646 |
| InChI Key: | XQCHTMPMKRCGKI-ZDTVYPESSA-N |