Name: 3-[4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl (4-nitrophenyl) carbonate
SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(OC(=O)Oc2ccc([N+](=O)[O-])cc2)C1Molecular Processing
Molecular formula
C30H25N5O6
Molecular weight
551.56
Exact mass
551.1805
XLogP
6.69
TPSA
144.63
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
150.77
Supplementary Information
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