 Home > Encyclopedia > 5-butylsulfanyl-12,12-dimethyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

5-butylsulfanyl-12,12-dimethyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

5-butylsulfanyl-12,12-dimethyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine structure

CAS No:
848064-99-3
Formula:
C21H26N4OS2
Chemical Name:
5-butylsulfanyl-12,12-dimethyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Synonyms:
ZINC8628176;STL345389;AKOS022106254;MCULE-3914501252;2-(butylsulfanyl)-6,6-dimethyl-N-(pyridin-2-ylmethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;848064-99-3

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5-butylsulfanyl-12,12-dimethyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine Basic Attributes

Molecular Weight：

414.6 g/mol

Exact Mass：

414.15480381 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:414.6
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:414.15480381
Monoisotopic Mass:414.15480381
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-butylsulfanyl-12,12-dimethyl-N-(pyridin-2-ylmethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

Basic Attributes
Characteristics
Computed Properties

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