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11-[(3-chlorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

11-[(3-chlorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one structure

CAS No:
860463-04-3
Formula:
C15H14ClN5O
Chemical Name:
11-[(3-chlorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Synonyms:
2-[(3-chlorobenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one;MLS000716918;CHEMBL1869009;HMS2656N05;STK169703;STK591369;ZINC18270843;AKOS000641964;AKOS005513250;ZINC100641652;CCG-143650;MCULE-3940606957;SMR000278435;SR-01000100497;SR-01000100497-1;2-[(3-chlorobenzyl)amino]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol;860463-04-3

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11-[(3-chlorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one Basic Attributes

Molecular Weight：

315.76 g/mol

Exact Mass：

315.0886878 g/mol

Characteristics

PSA：

69.1 Å²

Water Solubility：

36.9 [ug/mL]

Computed Properties

Molecular Weight:315.76
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:315.0886878
Monoisotopic Mass:315.0886878
Topological Polar Surface Area:69.1
Heavy Atom Count:22
Complexity:597
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 11-[(3-chlorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

Basic Attributes
Characteristics
Computed Properties

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