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

C24H14Cl3NO2S — CID 139074490

IUPAC(4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1C[C@H](c2cc(Cl)ccc2Cl)c2c(sc3ccc(Cl)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14Cl3NO2S/c25-13-6-8-19(27)16(10-13)17-12-21(29)28(15-4-2-1-3-5-15)24-22(17)23(30)18-11-14(26)7-9-20(18)31-24/h1-11,17H,12H2/t17-/m1/s1
InChIKeyYAKLEGIHDBBLFW-QGZVFWFLSA-N
MW486.81 g/mol
LogP7.42
Rot. Bonds2

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

(4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (PubChem CID 139074490) has the molecular formula C24H14Cl3NO2S and a molecular weight of 486.81 g/mol. Its IUPAC name is (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
PubChem CID139074490
Molecular FormulaC24H14Cl3NO2S
Molecular Weight486.81 g/mol
Exact Mass484.98
IUPAC Name(4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione
SMILESO=C1C[C@H](c2cc(Cl)ccc2Cl)c2c(sc3ccc(Cl)cc3c2=O)N1c1ccccc1
InChIInChI=1S/C24H14Cl3NO2S/c25-13-6-8-19(27)16(10-13)17-12-21(29)28(15-4-2-1-3-5-15)24-22(17)23(30)18-11-14(26)7-9-20(18)31-24/h1-11,17H,12H2/t17-/m1/s1
InChIKeyYAKLEGIHDBBLFW-QGZVFWFLSA-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 (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The IUPAC name of (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione (CID 139074490) is (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione.
What is the SMILES notation for (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The canonical SMILES for (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is O=C1C[C@H](c2cc(Cl)ccc2Cl)c2c(sc3ccc(Cl)cc3c2=O)N1c1ccccc1.
What is the InChIKey of (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
The InChIKey is YAKLEGIHDBBLFW-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H14Cl3NO2S/c25-13-6-8-19(27)16(10-13)17-12-21(29)28(15-4-2-1-3-5-15)24-22(17)23(30)18-11-14(26)7-9-20(18)31-24/h1-11,17H,12H2/t17-/m1/s1.
What are the key properties of (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione?
(4S)-7-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 (4S)-7-chloro-4-(2,5-dichlorophenyl)-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridine-2,5-dione is sourced from PubChem (CID 139074490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).