8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

C24H14Cl3NO2S — CID 154712606

IUPAC8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2cc(Cl)ccc2Cl)c2c(sc3cc(Cl)ccc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14Cl3NO2S/c25-13-7-9-19(27)17(10-13)18-12-21(29)28(15-4-2-1-3-5-15)24-22(18)23(30)16-8-6-14(26)11-20(16)31-24/h1-11,18H,12H2
InChIKeyKDUJJLWREKXPCN-UHFFFAOYSA-N
MW486.81 g/mol
LogP7.42
Rot. Bonds2

About 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154712606) has the molecular formula C24H14Cl3NO2S and a molecular weight of 486.81 g/mol. Its IUPAC name is 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154712606
Molecular FormulaC24H14Cl3NO2S
Molecular Weight486.81 g/mol
Exact Mass484.98
IUPAC Name8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2cc(Cl)ccc2Cl)c2c(sc3cc(Cl)ccc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14Cl3NO2S/c25-13-7-9-19(27)17(10-13)18-12-21(29)28(15-4-2-1-3-5-15)24-22(18)23(30)16-8-6-14(26)11-20(16)31-24/h1-11,18H,12H2
InChIKeyKDUJJLWREKXPCN-UHFFFAOYSA-N
XLogP7.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.81
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154712606) is 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1CC(c2cc(Cl)ccc2Cl)c2c(sc3cc(Cl)ccc3c2=O)N1c1ccccc1.
What is the InChIKey of 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is KDUJJLWREKXPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl3NO2S/c25-13-7-9-19(27)17(10-13)18-12-21(29)28(15-4-2-1-3-5-15)24-22(18)23(30)16-8-6-14(26)11-20(16)31-24/h1-11,18H,12H2.
What are the key properties of 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione has a molecular weight of 486.81 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154712606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).