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

C24H15Cl2NO2S — CID 154712607

IUPAC8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)c2c(sc3cc(Cl)ccc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H15Cl2NO2S/c25-15-8-6-14(7-9-15)19-13-21(28)27(17-4-2-1-3-5-17)24-22(19)23(29)18-11-10-16(26)12-20(18)30-24/h1-12,19H,13H2
InChIKeyCMPHNIJBTQISBH-UHFFFAOYSA-N
MW452.36 g/mol
LogP6.77
Rot. Bonds2

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

8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154712607) has the molecular formula C24H15Cl2NO2S and a molecular weight of 452.36 g/mol. Its IUPAC name is 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154712607
Molecular FormulaC24H15Cl2NO2S
Molecular Weight452.36 g/mol
Exact Mass451.02
IUPAC Name8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)c2c(sc3cc(Cl)ccc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H15Cl2NO2S/c25-15-8-6-14(7-9-15)19-13-21(28)27(17-4-2-1-3-5-17)24-22(19)23(29)18-11-10-16(26)12-20(18)30-24/h1-12,19H,13H2
InChIKeyCMPHNIJBTQISBH-UHFFFAOYSA-N
XLogP6.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.36
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154712607) is 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1CC(c2ccc(Cl)cc2)c2c(sc3cc(Cl)ccc3c2=O)N1c1ccccc1.
What is the InChIKey of 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is CMPHNIJBTQISBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2NO2S/c25-15-8-6-14(7-9-15)19-13-21(28)27(17-4-2-1-3-5-17)24-22(19)23(29)18-11-10-16(26)12-20(18)30-24/h1-12,19H,13H2.
What are the key properties of 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione has a molecular weight of 452.36 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-chlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154712607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).