이름: ethyl 6-[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-pyrimidine-4-carboxylate
SMILES:
CCOC(=O)c1cc(N2CCC(N3CCc4ccccc4NC3=O)CC2)ncn1Molecular Processing
Molecular formula
C21H25N5O3
Molecular weight
395.46
Exact mass
395.1957
XLogP
2.71
TPSA
87.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
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
0.429
Molar refractivity
109.09
Supplementary Information
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