7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione

C23H19NO3S — CID 10834212

IUPAC7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione
SMILESO=C1CC(C(CC(=O)c2ccccc2)c2ccccc2)C(=O)c2sccc2N1
InChIInChI=1S/C23H19NO3S/c25-20(16-9-5-2-6-10-16)13-17(15-7-3-1-4-8-15)18-14-21(26)24-19-11-12-28-23(19)22(18)27/h1-12,17-18H,13-14H2,(H,24,26)
InChIKeyRMTIKSCZVNCDCK-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.95
Rot. Bonds5

About 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione

7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione (PubChem CID 10834212) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione.

Molecular Properties

Compound Name7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione
PubChem CID10834212
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione
SMILESO=C1CC(C(CC(=O)c2ccccc2)c2ccccc2)C(=O)c2sccc2N1
InChIInChI=1S/C23H19NO3S/c25-20(16-9-5-2-6-10-16)13-17(15-7-3-1-4-8-15)18-14-21(26)24-19-11-12-28-23(19)22(18)27/h1-12,17-18H,13-14H2,(H,24,26)
InChIKeyRMTIKSCZVNCDCK-UHFFFAOYSA-N
XLogP4.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione with MolForge

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Related Compounds

4-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione
CID 10693298
cis-(2S,6S)-2-[(1S)-3-oxo-1,3-diphenylpropyl]-6-phenylcyclohexan-1-one
CID 102426284
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090
(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one
CID 139084691
5-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3834503
(2S)-2-[(1S)-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one
CID 56839839
2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
CID 12542865
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
(3R)-1,3-diphenyl-3-[(4S)-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazol-4-yl]propan-1-one
CID 56669627
(2S)-2-[(1R)-1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]cyclopentan-1-one
CID 102108457
(2S)-2-[(1R)-3-(3-chlorophenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 102230840

Frequently Asked Questions

What is the IUPAC name of 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione?
The IUPAC name of 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione (CID 10834212) is 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione.
What is the SMILES notation for 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione?
The canonical SMILES for 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione is O=C1CC(C(CC(=O)c2ccccc2)c2ccccc2)C(=O)c2sccc2N1.
What is the InChIKey of 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione?
The InChIKey is RMTIKSCZVNCDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-20(16-9-5-2-6-10-16)13-17(15-7-3-1-4-8-15)18-14-21(26)24-19-11-12-28-23(19)22(18)27/h1-12,17-18H,13-14H2,(H,24,26).
What are the key properties of 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione?
7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione has a molecular weight of 389.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-oxo-1,3-diphenylpropyl)-6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione is sourced from PubChem (CID 10834212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).