CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C#C)NC(=O)OC
CAS: 1228969-00-3
Nombre: methyl N-[1-[2-(5-ethynyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILES: CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C#C)NC(=O)OC

Molecular Processing

Molecular formula
C16H22N4O3
Molecular weight
318.38
Exact mass
318.1692
XLogP
1.44
TPSA
87.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
84.38

Supplementary Information

InChIKey: NIIVIQPQFFPQAW-UHFFFAOYSA-N
Sinónimos
SCHEMBL204675NIIVIQPQFFPQAW-UHFFFAOYSA-NDB-215409{1-[2-(5-Ethynyl-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester{1-[2-(5-ethynyl-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}carbamic acid methyl ester1228969-00-3
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