이름: (1S,2S,5S)-5-benzyl-2-[(4-phenylpiperazin-1-yl)carbonyl]-6-oxabicyclo[3.2.1]-octan-7-one
SMILES:
O=C1O[C@@]2(Cc3ccccc3)CC[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H]1C2Molecular Processing
Molecular formula
C25H28N2O3
Molecular weight
404.51
Exact mass
404.21
XLogP
3.29
TPSA
49.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
115.04
Supplementary Information
상세 정보 불러오는 중…
4개 반응에 참여→