COC(=O)c1sc(C2=CCCCC2)cc1NC1CCN2C(=O)CCC2C1
이름: 5-cyclohex-1-enyl-3-[(3-oxo-octahydro-indolizin-7-yl)-amino]-thiophene-2-carboxylic acid methyl ester
SMILES: COC(=O)c1sc(C2=CCCCC2)cc1NC1CCN2C(=O)CCC2C1

Molecular Processing

Molecular formula
C20H26N2O3S
Molecular weight
374.51
Exact mass
374.1664
XLogP
4.06
TPSA
58.64
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
103.48

Supplementary Information

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