COC1=C(C(=O)C1=O)NC2CCCC(C2)C3=CSC(=N3)N=C(N)N
이름: 2-[4-[3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]cyclohexyl]-1,3-thiazol-2-yl]guanidine
SMILES: COC1=C(C(=O)C1=O)NC2CCCC(C2)C3=CSC(=N3)N=C(N)N

Molecular Processing

Molecular formula
C15H19N5O3S
Molecular weight
349.42
Exact mass
349.1209
XLogP
0.79
TPSA
132.69
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
94.11

Supplementary Information

InChIKey: RYGXHUWRGGPZOV-UHFFFAOYSA-N
동의어
SCHEMBL10934071SCHEMBL11454296RYGXHUWRGGPZOV-UHFFFAOYSA-N1-[3-(2-guanidinothiazol-4-yl)-cyclohexylamino]-2-methoxycyclobutene-3,4-dione1-[3-(2-guanidinothiazol-4-yl)cyclohexylamino]-2-methoxycyclobutene-3,4-dione
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