3-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol
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![3-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/01a5755eda174959a1eb7b49c93f2983.png "3-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol")
3-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol
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CAS No:
896840-24-7
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Formula:
C18H16N4OS
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Chemical Name:
3-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol
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Synonyms:
3-(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol;ZINC2226451;STK586215;AKOS005509223;MCULE-7635251541;AO-022/43455209;896840-24-7
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CAS No:
3-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)phenol Basic Attributes
336.4 g/mol
336.10448232 g/mol
Computed Properties
Molecular Weight:336.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:336.10448232
Monoisotopic Mass:336.10448232
Topological Polar Surface Area:91.6
Heavy Atom Count:24
Complexity:480
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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