CAS: 223786-08-1
이름: 1-(cyclopropylmethyl)-4-(4-isothiocyanatophenyl)piperazine
SMILES:
C1CC1CN2CCN(CC2)C3=CC=C(C=C3)N=C=SMolecular Processing
Molecular formula
C15H19N3S
Molecular weight
273.41
Exact mass
273.13
XLogP
2.95
TPSA
18.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
82.51
Supplementary Information
InChIKey: ZBBBTXVKONJYGS-UHFFFAOYSA-N
동의어
SCHEMBL57259891-(4-isothiocyanatophenyl)-4-cyclopropylmethylpiperazineZBBBTXVKONJYGS-UHFFFAOYSA-NDTXSID401191729223786-08-11-(4-isothiocyanato-phenyl)-4-cyclopropylmethylpiperazine1-(cyclopropylmethyl)-4-(4-isothiocyanatophenyl)piperazine1-(4-Isothiocyanatophenyl)-4-(1-cyclopropylmethyl)piperazine
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