CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2=O)CC(Cl)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
Name: benzhydryl 3-(2,2-dichloroethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES: CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2=O)CC(Cl)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Molecular Processing

Molecular formula
C27H28Cl2N2O6S
Molecular weight
579.5
Exact mass
578.1045
XLogP
4.59
TPSA
102.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
144.76

Supplementary Information

InChIKey: NHMWNFUJWMSHLX-UHFFFAOYSA-N
Synonyme
SCHEMBL10846699NHMWNFUJWMSHLX-UHFFFAOYSA-N2-benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-(2,2-dichloroethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-5-oxide
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