الاسم: tert-butyl (1aRS,7bSR)-5-{2-[N-(2,4-dimethoxybenzyl)-N-(3-dimethylamino-propyl)carbamoyl]benzenesulfonylamino}-1,1a,2,7b-tetrahydro-cyclopropa-[c]chromene-4-carboxylate
SMILES:
COc1ccc(CN(CCCN(C)C)C(=O)c2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)OC(C)(C)C)OCC2CC32)c(OC)c1Molecular Processing
Molecular formula
C36H45N3O8S
Molecular weight
679.84
Exact mass
679.2927
XLogP
5.55
TPSA
123.71
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
48
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
182.66
Supplementary Information
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