名称: (3aS,6aR)-hexahydro-1-[(R)-(1-phenylethyl)]-2-oxo-3-benzylthieno-[3,4-d]-imidazol-4-ylidene pentanoic acid
SMILES:
CCCC(C(=O)O)=C1SC[C@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2[C@H](C)c1ccccc1Molecular Processing
Molecular formula
C25H28N2O3S
Molecular weight
436.58
Exact mass
436.1821
XLogP
5.31
TPSA
60.85
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
123.68
Supplementary Information
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