7-(2-methylpropyl)-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
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![7-(2-methylpropyl)-12-[(E)-3-phenylprop-2-enyl]sulfanyl-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](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6abdbe04ef6843f18f2197451cf08edf.png "7-(2-methylpropyl)-12-[(E)-3-phenylprop-2-enyl]sulfanyl-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-(2-methylpropyl)-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
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CAS No:
799818-45-4
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Formula:
C25H25N3S2
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Chemical Name:
7-(2-methylpropyl)-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
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Synonyms:
ZINC2234451;STL227021;AKOS025272333;4-(2-methylpropyl)-7-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine;799818-45-4
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CAS No:
7-(2-methylpropyl)-12-[(E)-3-phenylprop-2-enyl]sulfanyl-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
431.6 g/mol
431.14899016 g/mol
Computed Properties
Molecular Weight:431.6
XLogP3:7.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:431.14899016
Monoisotopic Mass:431.14899016
Topological Polar Surface Area:92.2
Heavy Atom Count:30
Complexity:591
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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