CSC(=NCCCOC1=CC=CC(=C1)CN2CCCCC2)NC#N
名称: methyl N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidothioate
SMILES: CSC(=NCCCOC1=CC=CC(=C1)CN2CCCCC2)NC#N

Molecular Processing

Molecular formula
C18H26N4OS
Molecular weight
346.5
Exact mass
346.1827
XLogP
3.23
TPSA
60.65
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
100.25

Supplementary Information

InChIKey: WQQAZUHTQJDRDT-UHFFFAOYSA-N
同義語
SCHEMBL10664207SCHEMBL10664212WQQAZUHTQJDRDT-UHFFFAOYSA-NN'-cyano-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-carbamimidothioic acid, methyl esterN'-cyano-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]carbamimidothioic acid methyl ester
出典を見る →
4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→