1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone

C23H18N2O2S — CID 67222869

IUPAC1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C23H18N2O2S/c26-23(21-14-17-8-4-5-9-20(17)28-21)25-12-13-27-22-19(15-25)18(10-11-24-22)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2
InChIKeyPXNBWNRLCUOKKH-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.00
Rot. Bonds2

About 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone

1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone (PubChem CID 67222869) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
PubChem CID67222869
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C23H18N2O2S/c26-23(21-14-17-8-4-5-9-20(17)28-21)25-12-13-27-22-19(15-25)18(10-11-24-22)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2
InChIKeyPXNBWNRLCUOKKH-UHFFFAOYSA-N
XLogP5.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone (CID 67222869) is 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone is O=C(c1cc2ccccc2s1)N1CCOc2nccc(-c3ccccc3)c2C1.
What is the InChIKey of 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
The InChIKey is PXNBWNRLCUOKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c26-23(21-14-17-8-4-5-9-20(17)28-21)25-12-13-27-22-19(15-25)18(10-11-24-22)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2.
What are the key properties of 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone has a molecular weight of 386.48 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone is sourced from PubChem (CID 67222869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).