이름: 2-[5-chloro-2-(2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-N-methyl-benzamide
SMILES:
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)CNC3)ncc1ClMolecular Processing
Molecular formula
C21H19ClFN7O2
Molecular weight
455.88
Exact mass
455.1273
XLogP
3.16
TPSA
120.07
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
120.18
Supplementary Information
상세 정보 불러오는 중…
6개 반응에 참여→