11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

C22H13Cl2NOS — CID 3884986

IUPAC11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C22H13Cl2NOS/c23-12-9-10-15(16(24)11-12)22-19-20(13-5-1-2-6-14(13)21(19)26)25-17-7-3-4-8-18(17)27-22/h1-11,22,25H
InChIKeyVVMOFZQENBHUEY-UHFFFAOYSA-N
MW410.33 g/mol
LogP6.86
Rot. Bonds1

About 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (PubChem CID 3884986) has the molecular formula C22H13Cl2NOS and a molecular weight of 410.33 g/mol. Its IUPAC name is 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.

Molecular Properties

Compound Name11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
PubChem CID3884986
Molecular FormulaC22H13Cl2NOS
Molecular Weight410.33 g/mol
Exact Mass409.01
IUPAC Name11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C22H13Cl2NOS/c23-12-9-10-15(16(24)11-12)22-19-20(13-5-1-2-6-14(13)21(19)26)25-17-7-3-4-8-18(17)27-22/h1-11,22,25H
InChIKeyVVMOFZQENBHUEY-UHFFFAOYSA-N
XLogP6.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.33
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenyl-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
CID 2840397
6-(4-methylphenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
CID 3702043
11-(4-Propan-2-ylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2911006
6-[4-(trifluoromethyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
CID 2946813
6-(4-propylphenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
CID 3716777
6-(2-fluorophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
CID 4892796
11-(4-Tert-butylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2904444
11-(4-Chlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2915579
6-(3-chlorophenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
CID 4043527
6-(4-Ethylphenyl)-6H-indeno[2,1-C][1,5]benzothiazepin-7-OL
CID 16020356
11-(4-fluorophenyl)-11H-indeno[2,3-c][1,5]benzothiazepin-12-ol
CID 4326738
6-[2-(Trifluoromethyl)phenyl]-6H-indeno[2,1-C][1,5]benzothiazepin-7-OL
CID 2948719

Frequently Asked Questions

What is the IUPAC name of 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The IUPAC name of 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (CID 3884986) is 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
What is the SMILES notation for 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The canonical SMILES for 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is O=C1C2=C(Nc3ccccc3SC2c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The InChIKey is VVMOFZQENBHUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2NOS/c23-12-9-10-15(16(24)11-12)22-19-20(13-5-1-2-6-14(13)21(19)26)25-17-7-3-4-8-18(17)27-22/h1-11,22,25H.
What are the key properties of 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one has a molecular weight of 410.33 g/mol, XLogP of 6.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-dichlorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is sourced from PubChem (CID 3884986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).