5-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
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![5-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5ecb92f7754e425086dba61715ef4ee3.png "5-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide")
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
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CAS No:
728888-53-7
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Formula:
C21H20N4O3S
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Chemical Name:
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
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Synonyms:
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide;5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-carboxamide;KS-00003RL1;ZINC4707724;RSC001328;STK782800;AKOS001726922;MCULE-9325078441;SS-0013;AM-807/43303224
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CAS No:
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide Basic Attributes
408.4735
408.126
Computed Properties
Molecular Weight:408.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:408.12561169
Monoisotopic Mass:408.12561169
Topological Polar Surface Area:118
Heavy Atom Count:29
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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