名称: butyl N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-3-yl]carbamate
SMILES:
CCCCOC(=O)NC1=CC=CC2=C1C3=C4C(=C2)C=CC=C4C(=O)N(C3=O)CCN(C)CMolecular Processing
Molecular formula
C25H27N3O4
Molecular weight
433.51
Exact mass
433.2002
XLogP
4.5
TPSA
78.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
125.25
Supplementary Information
InChIKey: QIFLWSLJEVWOAI-UHFFFAOYSA-N
同義語
SCHEMBL13297981QIFLWSLJEVWOAI-UHFFFAOYSA-Nn-butyl {2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}carbamate
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