Nombre: benzyl N-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]carbamate

SMILES: CN1C[C@@H](NC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21

Molecular Processing

Molecular formula

C23H25N3O2

Molecular weight

375.47

Exact mass

375.1947

XLogP

3.81

TPSA

57.36

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.348

Molar refractivity

109.33

Supplementary Information

InChIKey: JVEMBGKZVJKJSE-FBBABVLZSA-N

Sinónimos

SCHEMBL10677155JVEMBGKZVJKJSE-FBBABVLZSA-N8alpha-benzyloxycarbonylamino-6-methylergoline