hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene

C157H122Cl12N18O18S12 — CID 155823117

IUPAChexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene
SMILESCOc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.Cc1ccccc1
InChIInChI=1S/6C25H19Cl2N3O3S2.C7H8/c6*1-32-20-11-14(8-10-19(20)33-13-15-7-9-16(26)12-18(15)27)22-28-23-21(24(31)29-22)35-25(34)30(23)17-5-3-2-4-6-17;1-7-5-3-2-4-6-7/h6*2-12,22,28H,13H2,1H3,(H,29,31);2-6H,1H3
InChIKeySLLDTIKGBGONPI-UHFFFAOYSA-N
MW3359.05 g/mol
LogP44.10
Rot. Bonds36

About hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene

hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene (PubChem CID 155823117) has the molecular formula C157H122Cl12N18O18S12 and a molecular weight of 3359.05 g/mol. Its IUPAC name is hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene.

Molecular Properties

Compound Namehexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene
PubChem CID155823117
Molecular FormulaC157H122Cl12N18O18S12
Molecular Weight3359.05 g/mol
Exact Mass3350.21
IUPAC Namehexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene
SMILESCOc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.Cc1ccccc1
InChIInChI=1S/6C25H19Cl2N3O3S2.C7H8/c6*1-32-20-11-14(8-10-19(20)33-13-15-7-9-16(26)12-18(15)27)22-28-23-21(24(31)29-22)35-25(34)30(23)17-5-3-2-4-6-17;1-7-5-3-2-4-6-7/h6*2-12,22,28H,13H2,1H3,(H,29,31);2-6H,1H3
InChIKeySLLDTIKGBGONPI-UHFFFAOYSA-N
XLogP44.10
TPSA387.12 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003359.05
LogP ≤ 544.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene 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

(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 1105759
5-(2-chlorophenyl)-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 2859854
5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3893102
2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 23967736
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 5441940
(5R)-3-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 684991
6-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N,N-diethyl-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 167827944
(5Z)-3-(3-chlorophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124650380
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386081
(5E)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872023
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66529590

Frequently Asked Questions

What is the IUPAC name of hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene?
The IUPAC name of hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene (CID 155823117) is hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene.
What is the SMILES notation for hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene?
The canonical SMILES for hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene is COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.COc1cc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OCc1ccc(Cl)cc1Cl.Cc1ccccc1.
What is the InChIKey of hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene?
The InChIKey is SLLDTIKGBGONPI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C25H19Cl2N3O3S2.C7H8/c6*1-32-20-11-14(8-10-19(20)33-13-15-7-9-16(26)12-18(15)27)22-28-23-21(24(31)29-22)35-25(34)30(23)17-5-3-2-4-6-17;1-7-5-3-2-4-6-7/h6*2-12,22,28H,13H2,1H3,(H,29,31);2-6H,1H3.
What are the key properties of hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene?
hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene has a molecular weight of 3359.05 g/mol, XLogP of 44.10, 36 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-3-phenyl-2-sulfanylidene-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one);toluene is sourced from PubChem (CID 155823117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).