CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC(=CC=C4)OC)N
名称: [4-amino-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC(=CC=C4)OC)N

Molecular Processing

Molecular formula
C24H29N5O2S
Molecular weight
451.6
Exact mass
451.2042
XLogP
4.24
TPSA
83.72
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
131.6

Supplementary Information

InChIKey: ULASOGJPQQFWKK-UHFFFAOYSA-N
同義語
CHEMBL1956069SCHEMBL5741716SCHEMBL31059887ULASOGJPQQFWKK-UHFFFAOYSA-NHMS3401E09BDBM50365217NSC767293NSC-767293SDCCGRCH-0000065.P001RO0506220-000[4-Amino-2-[[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-5-thiazolyl](3-methoxyphenyl)methanone
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