CC1=C(C(=NN1)N)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)NCCN4CCOCC4
이름: 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-sulfonamide
SMILES: CC1=C(C(=NN1)N)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)NCCN4CCOCC4

Molecular Processing

Molecular formula
C17H22N6O3S2
Molecular weight
422.54
Exact mass
422.1195
XLogP
1.19
TPSA
126.23
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
108.8

Supplementary Information

InChIKey: ZTXBWQWZMYZJIU-UHFFFAOYSA-N
동의어
SCHEMBL686608CHEMBL3681023ZTXBWQWZMYZJIU-UHFFFAOYSA-NBDBM1239612-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2-morpholin-4-ylethyl)-amide2-(5-Amino-3-methyl-1H-pyrazol-4-yl)benzothiazole-6-sulfonic acid (2-morpholin-4-ylethyl)-amideUS8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2-morpholin-4-yl-ethyl)-amide
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