CID 58197404

C23H28F3N3O3 — CID 58197404

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1C21N=C(N)N(CC(F)(F)F)C1=O
InChIInChI=1S/C23H28F3N3O3/c1-31-16-6-8-21(9-7-16)11-15-4-5-17(32-12-14-2-3-14)10-18(15)23(21)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,2-3,6-9,11-13H2,1H3,(H2,27,28)
InChIKeyFOWNFEGNIVNADT-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.52
Rot. Bonds5

About CID 58197404

CID 58197404 (PubChem CID 58197404) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol.

Molecular Properties

Compound NameCID 58197404
PubChem CID58197404
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1C21N=C(N)N(CC(F)(F)F)C1=O
InChIInChI=1S/C23H28F3N3O3/c1-31-16-6-8-21(9-7-16)11-15-4-5-17(32-12-14-2-3-14)10-18(15)23(21)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,2-3,6-9,11-13H2,1H3,(H2,27,28)
InChIKeyFOWNFEGNIVNADT-UHFFFAOYSA-N
XLogP3.52
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 58197404?
The IUPAC name of CID 58197404 (CID 58197404) is not available.
What is the SMILES notation for CID 58197404?
The canonical SMILES for CID 58197404 is COC1CCC2(CC1)Cc1ccc(OCC3CC3)cc1C21N=C(N)N(CC(F)(F)F)C1=O.
What is the InChIKey of CID 58197404?
The InChIKey is FOWNFEGNIVNADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-31-16-6-8-21(9-7-16)11-15-4-5-17(32-12-14-2-3-14)10-18(15)23(21)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,2-3,6-9,11-13H2,1H3,(H2,27,28).
What are the key properties of CID 58197404?
CID 58197404 has a molecular weight of 451.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197404 is sourced from PubChem (CID 58197404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).