7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

C24H16ClNO2S — CID 154711320

IUPAC7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2)c2c(sc3ccc(Cl)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H16ClNO2S/c25-16-11-12-20-19(13-16)23(28)22-18(15-7-3-1-4-8-15)14-21(27)26(24(22)29-20)17-9-5-2-6-10-17/h1-13,18H,14H2
InChIKeyYFMPAYYMSJPYAH-UHFFFAOYSA-N
MW417.92 g/mol
LogP6.12
Rot. Bonds2

About 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione

7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 154711320) has the molecular formula C24H16ClNO2S and a molecular weight of 417.92 g/mol. Its IUPAC name is 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID154711320
Molecular FormulaC24H16ClNO2S
Molecular Weight417.92 g/mol
Exact Mass417.06
IUPAC Name7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2)c2c(sc3ccc(Cl)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H16ClNO2S/c25-16-11-12-20-19(13-16)23(28)22-18(15-7-3-1-4-8-15)14-21(27)26(24(22)29-20)17-9-5-2-6-10-17/h1-13,18H,14H2
InChIKeyYFMPAYYMSJPYAH-UHFFFAOYSA-N
XLogP6.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.92
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione 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 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 154711320) is 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1CC(c2ccccc2)c2c(sc3ccc(Cl)cc3c2=O)N1c1ccccc1.
What is the InChIKey of 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is YFMPAYYMSJPYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO2S/c25-16-11-12-20-19(13-16)23(28)22-18(15-7-3-1-4-8-15)14-21(27)26(24(22)29-20)17-9-5-2-6-10-17/h1-13,18H,14H2.
What are the key properties of 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione has a molecular weight of 417.92 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4-diphenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 154711320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).