CCOC(C#Cc1cnc(Cl)nc1NCCNC(=O)OC(C)(C)C)OCC
名称: tert-butyl N-[2-[[2-chloro-5-(3,3-diethoxyprop-1-ynyl)pyrimidin-4 yl]amino]ethyl]carbamate
SMILES: CCOC(C#Cc1cnc(Cl)nc1NCCNC(=O)OC(C)(C)C)OCC

Molecular Processing

Molecular formula
C18H27ClN4O4
Molecular weight
398.89
Exact mass
398.1721
XLogP
2.82
TPSA
94.6
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
103.69

Supplementary Information

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