이름: 2-Cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(3-hydroxycyclopent-1-enyl)-5-methyl-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(C2=CC(O)CC2)c(N2CC[C@H](N(C)C)C2)c2oc(C3CC3)nc2c1C#NMolecular Processing
Molecular formula
C23H28N4O2
Molecular weight
392.5
Exact mass
392.2212
XLogP
3.56
TPSA
76.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
112.96
Supplementary Information
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