 Home > Encyclopedia > 7-butyl-14-methylsulfanyl-12-pyrrolidin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

7-butyl-14-methylsulfanyl-12-pyrrolidin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

7-butyl-14-methylsulfanyl-12-pyrrolidin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene structure

CAS No:
799807-45-7
Formula:
C21H26N4S2
Chemical Name:
7-butyl-14-methylsulfanyl-12-pyrrolidin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Synonyms:
Oprea1_390895;ZINC2226549;STK721584;AKOS005530327;MCULE-8355106566;4-butyl-9-(methylsulfanyl)-7-(pyrrolidin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine;799807-45-7

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7-butyl-14-methylsulfanyl-12-pyrrolidin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene Basic Attributes

Molecular Weight：

398.6 g/mol

Exact Mass：

398.15988919 g/mol

Characteristics

PSA：

95.4 Å²

Computed Properties

Molecular Weight:398.6
XLogP3:6.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:398.15988919
Monoisotopic Mass:398.15988919
Topological Polar Surface Area:95.4
Heavy Atom Count:27
Complexity:514
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-butyl-14-methylsulfanyl-12-pyrrolidin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene

Basic Attributes
Characteristics
Computed Properties

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