이름: 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-(3-nitrophenyl)-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(-c2cccc([N+](=O)[O-])c2)c(N2CC[C@H](N(C)C)C2)c2oc(C(C)(C)C)nc2c1C#NMolecular Processing
Molecular formula
C25H29N5O3
Molecular weight
447.54
Exact mass
447.227
XLogP
5.02
TPSA
99.44
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
128.56
Supplementary Information
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