CAS: 623583-89-1
名称: 3-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-3-oxopropanenitrile
SMILES:
CC1CN(CCN1C(=O)CC#N)C(=O)C2=CC=CC=C2Molecular Processing
Molecular formula
C15H17N3O2
Molecular weight
271.32
Exact mass
271.1321
XLogP
1.27
TPSA
64.41
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
73.75
Supplementary Information
InChIKey: MRJIHWKTLNDCPT-GFCCVEGCSA-N
同義語
SCHEMBL5182371(R)-N-benzoyl-3-methyl-N'-(2-cyano-acetyl)piperazineMRJIHWKTLNDCPT-GFCCVEGCSA-NDTXSID401200764623583-89-1(2R)-4-Benzoyl-2-methyl-I(2)-oxo-1-piperazinepropanenitrile3-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-3-oxopropanenitrile
2 件の反応に参加→