CN(C)CC1=CC(=NC(=N1)C2=CC=C(C=C2)NC(=O)NC3CC3)N4C5CCC4COC5
الاسم: 1-cyclopropyl-3-[4-[4-[(dimethylamino)methyl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-yl]phenyl]urea
SMILES: CN(C)CC1=CC(=NC(=N1)C2=CC=C(C=C2)NC(=O)NC3CC3)N4C5CCC4COC5

Molecular Processing

Molecular formula
C23H30N6O2
Molecular weight
422.53
Exact mass
422.243
XLogP
2.86
TPSA
82.62
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
120.14

Supplementary Information

InChIKey: ULYMNVDCMXERKG-UHFFFAOYSA-N
مرادفات
SCHEMBL629816ULYMNVDCMXERKG-UHFFFAOYSA-N1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((dimethylamino)methyl)pyrimidin-2-yl)phenyl)-3-cyclopropylurea
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