CID 10907681

C28H24NOS — CID 10907681

IUPAC—
SMILES[CH]1[CH][C](Sc2ccccc2)[C](C2=NC(Cc3ccccc3)(Cc3ccccc3)CO2)[CH]1
InChIInChI=1S/C28H24NOS/c1-4-11-22(12-5-1)19-28(20-23-13-6-2-7-14-23)21-30-27(29-28)25-17-10-18-26(25)31-24-15-8-3-9-16-24/h1-18H,19-21H2
InChIKeyYMIBTRPWBZTMGU-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.16
Rot. Bonds7

About CID 10907681

CID 10907681 (PubChem CID 10907681) has the molecular formula C28H24NOS and a molecular weight of 422.57 g/mol.

Molecular Properties

Compound NameCID 10907681
PubChem CID10907681
Molecular FormulaC28H24NOS
Molecular Weight422.57 g/mol
Exact Mass422.16
IUPAC Name—
SMILES[CH]1[CH][C](Sc2ccccc2)[C](C2=NC(Cc3ccccc3)(Cc3ccccc3)CO2)[CH]1
InChIInChI=1S/C28H24NOS/c1-4-11-22(12-5-1)19-28(20-23-13-6-2-7-14-23)21-30-27(29-28)25-17-10-18-26(25)31-24-15-8-3-9-16-24/h1-18H,19-21H2
InChIKeyYMIBTRPWBZTMGU-UHFFFAOYSA-N
XLogP6.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10907681?
The IUPAC name of CID 10907681 (CID 10907681) is not available.
What is the SMILES notation for CID 10907681?
The canonical SMILES for CID 10907681 is [CH]1[CH][C](Sc2ccccc2)[C](C2=NC(Cc3ccccc3)(Cc3ccccc3)CO2)[CH]1.
What is the InChIKey of CID 10907681?
The InChIKey is YMIBTRPWBZTMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NOS/c1-4-11-22(12-5-1)19-28(20-23-13-6-2-7-14-23)21-30-27(29-28)25-17-10-18-26(25)31-24-15-8-3-9-16-24/h1-18H,19-21H2.
What are the key properties of CID 10907681?
CID 10907681 has a molecular weight of 422.57 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10907681 is sourced from PubChem (CID 10907681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).