(3aRS,5aRS,8aSR,8bRS)-N-(2-{[2-(2-hydroxyanilino)-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-(2-hydroxyanilino)-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-(2-hydroxyanilino)-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: | 4280-0016 |
| Compound Name: | (3aRS,5aRS,8aSR,8bRS)-N-(2-{[2-(2-hydroxyanilino)-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: | 479.49 |
| Molecular Formula: | C22 H29 N3 O9 |
| Smiles: | CC1(C)O[C@H]2[C@H](C(C(NCC(NCC(Nc3ccccc3O)=O)=O)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3333 |
| logD: | 1.3312 |
| logSw: | -1.9468 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 127.968 |
| InChI Key: | ASIRXPOFJWOGGM-SQKXPUGXSA-N |