N-[1-(4-bromoanilino)-1-oxopropan-2-yl]-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
N-[1-(4-bromoanilino)-1-oxopropan-2-yl]-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
N-[1-(4-bromoanilino)-1-oxopropan-2-yl]-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: | 4911-0111 |
| Compound Name: | N-[1-(4-bromoanilino)-1-oxopropan-2-yl]-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 499.36 |
| Molecular Formula: | C21 H27 Br N2 O7 |
| Smiles: | CC(C(Nc1ccc(cc1)[Br])=O)NC(C1C2C(C3C(O1)OC(C)(C)O3)OC(C)(C)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0097 |
| logD: | 3.0095 |
| logSw: | -3.3686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.023 |
| InChI Key: | NKMRKDIGABFQJF-UHFFFAOYSA-N |