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4-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-N,N-dimethylpiperazine-1-sulfonamide

ChemBase ID: 340025
Molecular Formular: C16H24N4O4S
Molecular Mass: 368.45116
Monoisotopic Mass: 368.15182627
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCN(C(=O)c2c(nc3c(c2)CCC3)OC)CC1)N(C)C
Canonical SMILES:
COc1nc2CCCc2cc1C(=O)N1CCN(CC1)S(=O)(=O)N(C)C
InChI:
InChI=1S/C16H24N4O4S/c1-18(2)25(22,23)20-9-7-19(8-10-20)16(21)13-11-12-5-4-6-14(12)17-15(13)24-3/h11H,4-10H2,1-3H3
InChIKey:
LIAUXVWLYUNQGY-UHFFFAOYSA-N

Cite this record

CBID:340025 http://www.chembase.cn/molecule-340025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-N,N-dimethylpiperazine-1-sulfonamide
IUPAC Traditional name
4-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}-N,N-dimethylpiperazine-1-sulfonamide
Synonyms
4-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]-N,N-dimethylpiperazine-1-sulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.06822866  LogD (pH = 7.4) -0.06770267 
Log P -0.06769596  Molar Refractivity 94.4974 cm3
Polarizability 36.677956 Å3 Polar Surface Area 83.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.52  LOG S -2.75 
Polar Surface Area 83.05 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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