Name: 4-[4-({1-[8-(4-Methyl-piperazin-1-yl)-4-oxo-4H-chromen-2-yl]-methanoyl}-amino)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
CN1CCN(c2cccc3c(=O)cc(C(=O)Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)oc23)CC1Molecular Processing
Molecular formula
C30H37N5O5
Molecular weight
547.66
Exact mass
547.2795
XLogP
3.85
TPSA
98.57
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
156.61
Supplementary Information
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