C=Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(Cc2ccc(-n3cccn3)cc2)c(C#N)c1C
SMILES: C=Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(Cc2ccc(-n3cccn3)cc2)c(C#N)c1C

Molecular Processing

Molecular formula
C27H28N4O2
Molecular weight
440.55
Exact mass
440.2212
XLogP
4.32
TPSA
90.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
128.08

Supplementary Information

상세 정보 불러오는 중…

1개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→