CCN1CCC2(CC3=C(CC2C1)C(=C(N3)C(=O)N(C(C)C)C(C)C)C)C4=CC(=CC=C4)OC
الاسم: (4aS,8aR)-6-ethyl-8a-(3-methoxyphenyl)-3-methyl-N,N-di(propan-2-yl)-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide
SMILES: CCN1CCC2(CC3=C(CC2C1)C(=C(N3)C(=O)N(C(C)C)C(C)C)C)C4=CC(=CC=C4)OC

Molecular Processing

Molecular formula
C28H41N3O2
Molecular weight
451.66
Exact mass
451.3199
XLogP
4.97
TPSA
48.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.607
Molar refractivity
134.27

Supplementary Information

InChIKey: OYTLVGPCPPASPN-DFHRPNOPSA-N
مرادفات
SCHEMBL7481666OYTLVGPCPPASPN-DFHRPNOPSA-N(+/-)-trans-2-diisopropylaminocarbonyl-6-ethyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g] isoquinoline
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