CID 142943154

C18H20F6N4O2S2 — CID 142943154

IUPAC—
SMILESCC(F)/C=C(CC(=O)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)\C(F)=C/C(C)F.S=S
InChIInChI=1S/C18H20F6N4O2.S2/c1-10(19)5-12(14(21)6-11(2)20)7-13(29)8-16(30)27-3-4-28-15(9-27)25-26-17(28)18(22,23)24;1-2/h5-6,10-11H,3-4,7-9H2,1-2H3;/b12-5-,14-6+;
InChIKeyKUHVEEFMRPDOFO-KORKCEMISA-N
MW502.51 g/mol
LogP3.48
Rot. Bonds7

About CID 142943154

CID 142943154 (PubChem CID 142943154) has the molecular formula C18H20F6N4O2S2 and a molecular weight of 502.51 g/mol.

Molecular Properties

Compound NameCID 142943154
PubChem CID142943154
Molecular FormulaC18H20F6N4O2S2
Molecular Weight502.51 g/mol
Exact Mass502.09
IUPAC Name—
SMILESCC(F)/C=C(CC(=O)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)\C(F)=C/C(C)F.S=S
InChIInChI=1S/C18H20F6N4O2.S2/c1-10(19)5-12(14(21)6-11(2)20)7-13(29)8-16(30)27-3-4-28-15(9-27)25-26-17(28)18(22,23)24;1-2/h5-6,10-11H,3-4,7-9H2,1-2H3;/b12-5-,14-6+;
InChIKeyKUHVEEFMRPDOFO-KORKCEMISA-N
XLogP3.48
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze CID 142943154 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 142943154?
The IUPAC name of CID 142943154 (CID 142943154) is not available.
What is the SMILES notation for CID 142943154?
The canonical SMILES for CID 142943154 is CC(F)/C=C(CC(=O)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)\C(F)=C/C(C)F.S=S.
What is the InChIKey of CID 142943154?
The InChIKey is KUHVEEFMRPDOFO-KORKCEMISA-N. The full InChI is InChI=1S/C18H20F6N4O2.S2/c1-10(19)5-12(14(21)6-11(2)20)7-13(29)8-16(30)27-3-4-28-15(9-27)25-26-17(28)18(22,23)24;1-2/h5-6,10-11H,3-4,7-9H2,1-2H3;/b12-5-,14-6+;.
What are the key properties of CID 142943154?
CID 142943154 has a molecular weight of 502.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142943154 is sourced from PubChem (CID 142943154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).