Name: N-(3,4-dichlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5′,4′:4,5]thieno[2,3-c]azepin-4-amine
SMILES:
Clc1ccc(Nc2ncnc3sc4c(c23)CCCNC4)cc1ClMolecular Processing
Molecular formula
C16H14Cl2N4S
Molecular weight
365.29
Exact mass
364.0316
XLogP
4.78
TPSA
49.84
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
97.19
Supplementary Information
Details werden geladen…
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