名称: N-[3-(methylamino)-3-methyliminopropyl]-1-(3-methylbutyl)-4-nitropyrrole-2-carboxamide
SMILES:
CC(C)CCN1C=C(C=C1C(=O)NCCC(=NC)NC)[N+](=O)[O-]Molecular Processing
Molecular formula
C15H25N5O3
Molecular weight
323.4
Exact mass
323.1957
XLogP
1.81
TPSA
101.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
89.91
Supplementary Information
InChIKey: DPSHMMLOPHYVHG-UHFFFAOYSA-N
同義語
DPSHMMLOPHYVHG-UHFFFAOYSA-N1-(3-Methyl-butyl)-4-nitro-1H-pyrrole-2-carboxylic acid [2-(N,N'-dimethylcarbamimidoyl)-ethyl]-amide
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