CCOC(=O)N1CCC2=C(C1)C3=C(N2CC4CO4)C=CC(=C3)C
Название: ethyl 8-methyl-5-(oxiran-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
SMILES: CCOC(=O)N1CCC2=C(C1)C3=C(N2CC4CO4)C=CC(=C3)C

Molecular Processing

Molecular formula
C18H22N2O3
Molecular weight
314.38
Exact mass
314.163
XLogP
2.86
TPSA
47
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
87.55

Supplementary Information

InChIKey: NHTWZAJVVODUPW-UHFFFAOYSA-N
Синонимы
SCHEMBL409544NHTWZAJVVODUPW-UHFFFAOYSA-NEthyl 8-Methyl-5-(oxiran-2-ylmethyl)-3, 4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylateEthyl 8-Methyl-5-(oxiran-2-ylmethyl)-3,4-dihydro-1H-pyrido[4, 3-b]indole-2(5H)-carboxylateEthyl 8-Methyl-5-(oxiran-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2 (5H)-carboxylateethyl 8-Methyl-5-(oxiran-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
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