(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one

C17H18N2O — CID 71351344

IUPAC(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
SMILESO=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)CN1
InChIInChI=1S/C17H18N2O/c20-17-11-15(13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H,18,20)/t15-,16+/m0/s1
InChIKeyHXCFNDCBTPQSCI-JKSUJKDBSA-N
MW266.34 g/mol
LogP2.58
Rot. Bonds2

About (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one

(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one (PubChem CID 71351344) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
PubChem CID71351344
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
SMILESO=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)CN1
InChIInChI=1S/C17H18N2O/c20-17-11-15(13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H,18,20)/t15-,16+/m0/s1
InChIKeyHXCFNDCBTPQSCI-JKSUJKDBSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one?
The IUPAC name of (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one (CID 71351344) is (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one.
What is the SMILES notation for (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one?
The canonical SMILES for (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one is O=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)CN1.
What is the InChIKey of (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one?
The InChIKey is HXCFNDCBTPQSCI-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-11-15(13-7-3-1-4-8-13)19-16(12-18-17)14-9-5-2-6-10-14/h1-10,15-16,19H,11-12H2,(H,18,20)/t15-,16+/m0/s1.
What are the key properties of (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one?
(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one has a molecular weight of 266.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S)-2,7-diphenyl-1,4-diazepan-5-one is sourced from PubChem (CID 71351344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).