الاسم: 4-(2-morpholin-4-yl-pyrimidin-5-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(Nc2cnc(N3CCOCC3)nc2)CC1Molecular Processing
Molecular formula
C18H29N5O3
Molecular weight
363.46
Exact mass
363.227
XLogP
2.12
TPSA
79.82
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
99.52
Supplementary Information
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