CCOC(=O)C1=CNCCC2=C1NC3=CC=CC=C23
CAS: 85660-66-8
الاسم: ethyl 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
SMILES: CCOC(=O)C1=CNCCC2=C1NC3=CC=CC=C23

Molecular Processing

Molecular formula
C15H16N2O2
Molecular weight
256.31
Exact mass
256.1212
XLogP
2.22
TPSA
54.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
74.62

Supplementary Information

InChIKey: HLLUUNWAJZGGCQ-UHFFFAOYSA-N
مرادفات
ETHYL 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE85660-66-8SCHEMBL273038DTXSID20726735HLLUUNWAJZGGCQ-UHFFFAOYSA-NDB-360298ethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylic acid ethyl ester
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