N-{3-[(adamantan-1-yl)oxy]propyl}-6-bromo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{3-[(adamantan-1-yl)oxy]propyl}-6-bromo-2H-1-benzopyran-3-carboxamide
N-{3-[(adamantan-1-yl)oxy]propyl}-6-bromo-2H-1-benzopyran-3-carboxamide
Compound characteristics
Compound ID: | G669-1239 |
Compound Name: | N-{3-[(adamantan-1-yl)oxy]propyl}-6-bromo-2H-1-benzopyran-3-carboxamide |
Molecular Weight: | 446.38 |
Molecular Formula: | C23 H28 Br N O3 |
Smiles: | C(CNC(C1COc2ccc(cc2C=1)[Br])=O)COC12CC3CC(CC(C3)C2)C1 |
Stereo: | ACHIRAL |
logP: | 5.5025 |
logD: | 5.5025 |
logSw: | -5.7649 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.124 |
InChI Key: | NDTVZSWSSYUNAV-UHFFFAOYSA-N |