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

C25H18ClNO2S — CID 154711322

IUPAC7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESCc1ccc(C2CC(=O)N(c3ccccc3)c3sc4ccc(Cl)cc4c(=O)c32)cc1
InChIInChI=1S/C25H18ClNO2S/c1-15-7-9-16(10-8-15)19-14-22(28)27(18-5-3-2-4-6-18)25-23(19)24(29)20-13-17(26)11-12-21(20)30-25/h2-13,19H,14H2,1H3
InChIKeyZOMDZLHYVYWJHG-UHFFFAOYSA-N
MW431.94 g/mol
LogP6.42
Rot. Bonds2

About 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154711322) has the molecular formula C25H18ClNO2S and a molecular weight of 431.94 g/mol. Its IUPAC name is 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154711322
Molecular FormulaC25H18ClNO2S
Molecular Weight431.94 g/mol
Exact Mass431.07
IUPAC Name7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESCc1ccc(C2CC(=O)N(c3ccccc3)c3sc4ccc(Cl)cc4c(=O)c32)cc1
InChIInChI=1S/C25H18ClNO2S/c1-15-7-9-16(10-8-15)19-14-22(28)27(18-5-3-2-4-6-18)25-23(19)24(29)20-13-17(26)11-12-21(20)30-25/h2-13,19H,14H2,1H3
InChIKeyZOMDZLHYVYWJHG-UHFFFAOYSA-N
XLogP6.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.94
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154711322) is 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is Cc1ccc(C2CC(=O)N(c3ccccc3)c3sc4ccc(Cl)cc4c(=O)c32)cc1.
What is the InChIKey of 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is ZOMDZLHYVYWJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO2S/c1-15-7-9-16(10-8-15)19-14-22(28)27(18-5-3-2-4-6-18)25-23(19)24(29)20-13-17(26)11-12-21(20)30-25/h2-13,19H,14H2,1H3.
What are the key properties of 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione has a molecular weight of 431.94 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-methylphenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154711322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).