CID 90056475

C23H23FN2O4 — CID 90056475

IUPAC—
SMILESCOc1cccc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1F
InChIInChI=1S/C23H23FN2O4/c1-27-18-5-2-4-15(19(18)24)14-6-7-17-16(10-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-17)8-3-9-22/h2,4-7,10H,3,8-9,11-13H2,1H3,(H2,25,26)
InChIKeyYWEZIZZHYAWWDG-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.37
Rot. Bonds2

About CID 90056475

CID 90056475 (PubChem CID 90056475) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol.

Molecular Properties

Compound NameCID 90056475
PubChem CID90056475
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name—
SMILESCOc1cccc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1F
InChIInChI=1S/C23H23FN2O4/c1-27-18-5-2-4-15(19(18)24)14-6-7-17-16(10-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-17)8-3-9-22/h2,4-7,10H,3,8-9,11-13H2,1H3,(H2,25,26)
InChIKeyYWEZIZZHYAWWDG-UHFFFAOYSA-N
XLogP3.37
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 90056475?
The IUPAC name of CID 90056475 (CID 90056475) is not available.
What is the SMILES notation for CID 90056475?
The canonical SMILES for CID 90056475 is COc1cccc(-c2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C2(CCC2)O3)c1F.
What is the InChIKey of CID 90056475?
The InChIKey is YWEZIZZHYAWWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-27-18-5-2-4-15(19(18)24)14-6-7-17-16(10-14)23(13-29-20(25)26-23)21(11-28-12-21)22(30-17)8-3-9-22/h2,4-7,10H,3,8-9,11-13H2,1H3,(H2,25,26).
What are the key properties of CID 90056475?
CID 90056475 has a molecular weight of 410.45 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056475 is sourced from PubChem (CID 90056475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).