Name: 6-[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-pyrimidine-4-carboxylic acid
SMILES:
O=C(O)c1cc(N2CCC(N3CCc4ccccc4NC3=O)CC2)ncn1Molecular Processing
Molecular formula
C19H21N5O3
Molecular weight
367.41
Exact mass
367.1644
XLogP
2.23
TPSA
98.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
100.1
Supplementary Information
Details werden geladen…
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