Nom: 7-fluoro-1-(p-methylthio-phenyl)-3,4-dihydro-pyrimido[1,6-a]indole-5-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1c2n(c3ccc(F)cc13)C(c1ccc(SC)cc1)=NCC2Molecular Processing
Molecular formula
C22H21FN2O2S
Molecular weight
396.49
Exact mass
396.1308
XLogP
4.46
TPSA
43.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
110.96
Supplementary Information
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