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4-[2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonyl]thiomorpholine

ChemBase ID: 420159
Molecular Formular: C19H26N2OS
Molecular Mass: 330.48754
Monoisotopic Mass: 330.17658446
SMILES and InChIs

SMILES:
C1(C(=O)N2CCSCC2)(N2CCCCC2)Cc2c(C1)cccc2
Canonical SMILES:
O=C(C1(Cc2c(C1)cccc2)N1CCCCC1)N1CCSCC1
InChI:
InChI=1S/C19H26N2OS/c22-18(20-10-12-23-13-11-20)19(21-8-4-1-5-9-21)14-16-6-2-3-7-17(16)15-19/h2-3,6-7H,1,4-5,8-15H2
InChIKey:
AIWCNHWDPKBHAL-UHFFFAOYSA-N

Cite this record

CBID:420159 http://www.chembase.cn/molecule-420159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonyl]thiomorpholine
IUPAC Traditional name
4-[2-(piperidin-1-yl)-1,3-dihydroindene-2-carbonyl]thiomorpholine
Synonyms
4-{[2-(1-piperidinyl)-2,3-dihydro-1H-inden-2-yl]carbonyl}thiomorpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 25933501 external link Add to cart
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) 0.22749278  LogD (pH = 7.4) 2.0016212 
Log P 2.8610241  Molar Refractivity 97.5776 cm3
Polarizability 37.882576 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.58  LOG S -2.63 
Polar Surface Area 23.55 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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