Name: 1-ethyl-3-(4-(4-(3-methylmorpholino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)phenyl)urea
SMILES:
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCNCC3)cc1Molecular Processing
Molecular formula
C22H30N6O2
Molecular weight
410.52
Exact mass
410.243
XLogP
2.2
TPSA
91.41
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
118.07
Supplementary Information
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