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methyl 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylate

ChemBase ID: 340630
Molecular Formular: C19H24N4O5
Molecular Mass: 388.41766
Monoisotopic Mass: 388.17466989
SMILES and InChIs

SMILES:
c1(nc(c2cc(c(c(c2)OC)OC)OC)cnn1)N1CCC(C(=O)OC)CC1
Canonical SMILES:
COC(=O)C1CCN(CC1)c1nncc(n1)c1cc(OC)c(c(c1)OC)OC
InChI:
InChI=1S/C19H24N4O5/c1-25-15-9-13(10-16(26-2)17(15)27-3)14-11-20-22-19(21-14)23-7-5-12(6-8-23)18(24)28-4/h9-12H,5-8H2,1-4H3
InChIKey:
HWUYXPMQMGGMPI-UHFFFAOYSA-N

Cite this record

CBID:340630 http://www.chembase.cn/molecule-340630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylate
IUPAC Traditional name
methyl 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylate
Synonyms
methyl 1-[5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]-4-piperidinecarboxylate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13905016 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) 1.635774  LogD (pH = 7.4) 1.6358609 
Log P 1.635862  Molar Refractivity 104.265 cm3
Polarizability 40.262234 Å3 Polar Surface Area 95.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.47  LOG S -3.8 
Polar Surface Area 95.9 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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