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Home > Encyclopedia > 4-amino-12,12-dimethyl-5-nonyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-amino-12,12-dimethyl-5-nonyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

4-amino-12,12-dimethyl-5-nonyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one structure

4-amino-12,12-dimethyl-5-nonyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one 

structure
  • CAS No:

    99762-68-2

  • Formula:

    C20H31N3O2S

  • Chemical Name:

    4-amino-12,12-dimethyl-5-nonyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

  • Synonyms:

    3-amino-6,6-dimethyl-2-nonyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one;ZINC2240028;STK009038;AKOS005376084;MCULE-1497842287;99762-68-2

4-amino-12,12-dimethyl-5-nonyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one Basic Attributes

377.5 g/mol

377.21369841 g/mol

Characteristics

96.2 Ų

4.8974

141 - 142 °C (methanol)

Computed Properties

Molecular Weight:377.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:377.21369841
Monoisotopic Mass:377.21369841
Topological Polar Surface Area:96.2
Heavy Atom Count:26
Complexity:537
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-amino-12,12-dimethyl-5-nonyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

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