4-Butoxy-N-(3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)benzamide | CAS No. 921583-37-1

Basic Information

4-Butoxy-N-(3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)benzamide

CAS Number

921583-37-1

Molecular Formula

C22H26N2O4

Molecular Weight

382.50 g/mol

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Basic Physical Properties

Boiling Point

502.4±50.0 °C(Predicted)

Density

1.164±0.06 g/cm3(Predicted)

SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC(=O)C(CO3)(C)C

InChI

InChI=1S/C22H26N2O4/c1-4-5-12-27-17-9-6-15(7-10-17)20(25)23-16-8-11-18-19(13-16)28-14-22(2,3)21(26)24-18/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,25)(H,24,26)

InChIKey

VCMMCDJBGHLXTJ-UHFFFAOYSA-N

LogP

4.474900000000003

pKa

12.84±0.40(Predicted)

Topological Polar Surface Area

76.66000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

543

Classification & Uses

Safety Information

Synonyms & References

English

  • 921583-37-1
  • 4-butoxy-N-(3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)benzamide
  • 4-butoxy-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)benzamide
  • AKOS024632966
  • F2261-0529
  • 4-butoxy-N-(3,3-dimethyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-8-yl)benzamide
  • Benzamide, 4-butoxy-N-(2,3,4,5-tetrahydro-3,3-dimethyl-4-oxo-1,5-benzoxazepin-8-yl)-

CAS Number

921583-37-1

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