이름: 3-[2-(4-acetyl-1-ethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamino)-5-chloro-pyrimidin-4-ylamino]-thiophene-2-carboxylic acid methylamide
SMILES:
CCN1C(=O)CN(C(C)=O)Cc2ccc(Nc3ncc(Cl)c(Nc4ccsc4C(=O)NC)n3)cc21Molecular Processing
Molecular formula
C23H24ClN7O3S
Molecular weight
514.01
Exact mass
513.135
XLogP
3.75
TPSA
119.56
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
136.88
Supplementary Information
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