N-(1,3-benzodioxol-5-ylmethyl)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide
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![N-(1,3-benzodioxol-5-ylmethyl)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dc9f7f4e658c43d39d5a33e98646d5c1.png "N-(1,3-benzodioxol-5-ylmethyl)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide")
N-(1,3-benzodioxol-5-ylmethyl)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide
structure -
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CAS No:
727689-38-5
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Formula:
C21H21N3O3S2
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Chemical Name:
N-(1,3-benzodioxol-5-ylmethyl)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide
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Synonyms:
727689-38-5;N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)propanamide;N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-((2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)propanamide;ZINC2889386;AKOS000813584;MCULE-8784900371;VU0618357-1;SR-01000280175;SR-01000280175-1;F3394-1060;Z275025482;N-(1,3-benzodioxol-5-ylmethyl)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide
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CAS No:
N-(1,3-benzodioxol-5-ylmethyl)-3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide Basic Attributes
427.5 g/mol
427.10243389 g/mol
Computed Properties
Molecular Weight:427.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:427.10243389
Monoisotopic Mass:427.10243389
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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