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ethyl 2-[1-methyl-9-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]acetate

ChemBase ID: 510021
Molecular Formular: C18H32N4O4
Molecular Mass: 368.47108
Monoisotopic Mass: 368.24235552
SMILES and InChIs

SMILES:
C(=O)(N1CCC2(N(CCN(C2)CC(=O)OCC)C)CC1)N1CCOCC1
Canonical SMILES:
CCOC(=O)CN1CCN(C2(C1)CCN(CC2)C(=O)N1CCOCC1)C
InChI:
InChI=1S/C18H32N4O4/c1-3-26-16(23)14-20-9-8-19(2)18(15-20)4-6-21(7-5-18)17(24)22-10-12-25-13-11-22/h3-15H2,1-2H3
InChIKey:
RURYNPDIGSPKCP-UHFFFAOYSA-N

Cite this record

CBID:510021 http://www.chembase.cn/molecule-510021.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-[1-methyl-9-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]acetate
IUPAC Traditional name
ethyl 2-[1-methyl-9-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]acetate
Synonyms
ethyl [1-methyl-9-(morpholin-4-ylcarbonyl)-1,4,9-triazaspiro[5.5]undec-4-yl]acetate

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) -3.5237932  LogD (pH = 7.4) -1.7497946 
Log P -0.9092503  Molar Refractivity 98.797 cm3
Polarizability 38.596897 Å3 Polar Surface Area 65.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.64  LOG S -2.43 
Polar Surface Area 65.56 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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