이름: (2R,3R)-2-(2,4-difluorophenyl)-3-(piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SMILES:
C[C@@H](N1CCNCC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1FMolecular Processing
Molecular formula
C16H21F2N5O
Molecular weight
337.37
Exact mass
337.1714
XLogP
0.74
TPSA
66.21
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
84.18
Supplementary Information
상세 정보 불러오는 중…
9개 반응에 참여→