이름: 2-cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-formyl-5-methyl-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(C=O)c(N2CC[C@H](N(C)C)C2)c2oc(C3CC3)nc2c1C#NMolecular Processing
Molecular formula
C19H22N4O2
Molecular weight
338.41
Exact mass
338.1743
XLogP
2.84
TPSA
73.37
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
95.13
Supplementary Information
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