Name: N-{[3-(dib enzylamino)oxetan-3-yl]methyl}-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinazolin-4-amine
SMILES:
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc(NCC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1Molecular Processing
Molecular formula
C36H37N5O3S
Molecular weight
619.79
Exact mass
619.2617
XLogP
5.62
TPSA
87.66
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
45
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
177.99
Supplementary Information
Details werden geladen…
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