Name: methyl 10-benzyl-4-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole-6-carboxylate
SMILES:
COC1=CC=CC2=C1N3C(CCCC3=C2CC4=CC=CC=C4)C(=O)OCMolecular Processing
Molecular formula
C22H23NO3
Molecular weight
349.43
Exact mass
349.1678
XLogP
4.29
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
101.73
Supplementary Information
InChIKey: KYZMWHSKQSAKMW-UHFFFAOYSA-N
Synonyme
SCHEMBL818301KYZMWHSKQSAKMW-UHFFFAOYSA-N4-methoxy-6-methoxycarbonyl-10-phenylmethyl-6,7,8,9-tetrahydropyrido[1,2-a]indole
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