CC1=CC(=C(C(=C1)O)C2=CC=CC3=C(C(=NN32)SC)N(CC4CC4)CC5CC5)C
名称: 2-[3-[bis(cyclopropylmethyl)amino]-2-methylsulfanylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethylphenol
SMILES: CC1=CC(=C(C(=C1)O)C2=CC=CC3=C(C(=NN32)SC)N(CC4CC4)CC5CC5)C

Molecular Processing

Molecular formula
C24H29N3OS
Molecular weight
407.58
Exact mass
407.2031
XLogP
5.67
TPSA
40.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
121.21

Supplementary Information

InChIKey: ILVZPSLVTRLQAY-UHFFFAOYSA-N
同義語
SCHEMBL1940702ILVZPSLVTRLQAY-UHFFFAOYSA-N2-[3-[Di(cyclopropylmethyl)amino]-2-(methylsulfanyl)pyrazolo [1,5-a]pyridin-7-yl]-3,5-dimethylphenol2-[3-[di(cyclopropylmethyl)amino]-2-(methylsulfanyl)pyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethylphenol
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