CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C
SMILES: CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C

Molecular Processing

Molecular formula
C31H39ClN8O
Molecular weight
575.16
Exact mass
574.2935
XLogP
5.72
TPSA
87.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
41
Rings
7
Aromatic rings
4
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
162.95

Supplementary Information

상세 정보 불러오는 중…

1개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→