CID 58197374

C23H24BrN3O2 — CID 58197374

IUPAC—
SMILESCC(C)N1C(=O)C2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1
InChIInChI=1S/C23H24BrN3O2/c1-14(2)27-20(28)23(26-21(27)25)18-13-17(24)7-8-19(18)29-22(23)11-9-15-5-3-4-6-16(15)10-12-22/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26)
InChIKeyATHCKLTWBPRHJY-UHFFFAOYSA-N
MW454.37 g/mol
LogP3.92
Rot. Bonds1

About CID 58197374

CID 58197374 (PubChem CID 58197374) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol.

Molecular Properties

Compound NameCID 58197374
PubChem CID58197374
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name—
SMILESCC(C)N1C(=O)C2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1
InChIInChI=1S/C23H24BrN3O2/c1-14(2)27-20(28)23(26-21(27)25)18-13-17(24)7-8-19(18)29-22(23)11-9-15-5-3-4-6-16(15)10-12-22/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26)
InChIKeyATHCKLTWBPRHJY-UHFFFAOYSA-N
XLogP3.92
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197374?
The IUPAC name of CID 58197374 (CID 58197374) is not available.
What is the SMILES notation for CID 58197374?
The canonical SMILES for CID 58197374 is CC(C)N1C(=O)C2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197374?
The InChIKey is ATHCKLTWBPRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c1-14(2)27-20(28)23(26-21(27)25)18-13-17(24)7-8-19(18)29-22(23)11-9-15-5-3-4-6-16(15)10-12-22/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26).
What are the key properties of CID 58197374?
CID 58197374 has a molecular weight of 454.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197374 is sourced from PubChem (CID 58197374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).