(3aRS,5aRS,8aSR,8bRS)-N-(2-{[2-(4-acetylanilino)-2-oxoethyl]amino}-2-oxoethyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Chemical Structure Depiction of
(3aRS,5aRS,8aSR,8bRS)-N-(2-{[2-(4-acetylanilino)-2-oxoethyl]amino}-2-oxoethyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
(3aRS,5aRS,8aSR,8bRS)-N-(2-{[2-(4-acetylanilino)-2-oxoethyl]amino}-2-oxoethyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | 4280-0019 |
| Compound Name: | (3aRS,5aRS,8aSR,8bRS)-N-(2-{[2-(4-acetylanilino)-2-oxoethyl]amino}-2-oxoethyl)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 505.52 |
| Molecular Formula: | C24 H31 N3 O9 |
| Smiles: | CC(c1ccc(cc1)NC(CNC(CNC(C1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(C)(C)O3)OC(C)(C)O2)=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3435 |
| logD: | 1.3433 |
| logSw: | -1.7821 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.944 |
| InChI Key: | CZZXDIHZMJQBGQ-YDTFHZCWSA-N |