이름: 4-[(1R,4S)-[4-[(RS)-(tetrahydropyran-2-yl)oxy]cyclopent-2-en-1-yl]oxy]-2-(1-piperazinyl)quinazoline
SMILES:
C1=C[C@H](Oc2nc(N3CCNCC3)nc3ccccc23)C[C@@H]1OC1CCCCO1Molecular Processing
Molecular formula
C22H28N4O3
Molecular weight
396.49
Exact mass
396.2161
XLogP
2.66
TPSA
68.74
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
111.26
Supplementary Information
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