Name: (S)-2-Dimethylamino-N-(6-oxo-2-phenyl-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl)-3-phenyl-propionamide
SMILES:
CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=OMolecular Processing
Molecular formula
C27H25N5O2
Molecular weight
451.53
Exact mass
451.2008
XLogP
4.02
TPSA
89.59
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
135.05
Supplementary Information
Details werden geladen…
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