Name: 2-[2,4-dioxo-3-(1H-indazol-3-ylmethylene)-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-diazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide
SMILES:
COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(=Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1Molecular Processing
Molecular formula
C31H29N5O4
Molecular weight
535.6
Exact mass
535.222
XLogP
4.74
TPSA
98.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
154.47
Supplementary Information
Details werden geladen…
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