3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

C34H44N6S2 — CID 138574600

IUPAC3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESCCc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(CC)cc4)CN3)NC2)cc1
InChIInChI=1S/C34H44N6S2/c1-3-27-9-13-29(14-10-27)17-19-39-23-35-33(36-24-39)41-21-31-7-5-6-8-32(31)22-42-34-37-25-40(26-38-34)20-18-30-15-11-28(4-2)12-16-30/h5-16H,3-4,17-26H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyRMHOZNJMHASGLM-UHFFFAOYSA-N
MW600.90 g/mol
LogP6.12
Rot. Bonds12

About 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 138574600) has the molecular formula C34H44N6S2 and a molecular weight of 600.90 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID138574600
Molecular FormulaC34H44N6S2
Molecular Weight600.90 g/mol
Exact Mass600.31
IUPAC Name3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESCCc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(CC)cc4)CN3)NC2)cc1
InChIInChI=1S/C34H44N6S2/c1-3-27-9-13-29(14-10-27)17-19-39-23-35-33(36-24-39)41-21-31-7-5-6-8-32(31)22-42-34-37-25-40(26-38-34)20-18-30-15-11-28(4-2)12-16-30/h5-16H,3-4,17-26H2,1-2H3,(H,35,36)(H,37,38)
InChIKeyRMHOZNJMHASGLM-UHFFFAOYSA-N
XLogP6.12
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.90
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine 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-benzylsulfanyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138560614
6-[[4-bromo-2-[[3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138560615
3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138562830
6-[[4-fluoro-2-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138563374
3-(cyclohexylmethyl)-6-[[2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138574487
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-6-[[2-[[3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138574586
3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 142560662
6-[[4-fluoro-2-[[3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazine
CID 142560665
3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 154611726
3-[2-[3-(trifluoromethyl)phenyl]ethyl]-4-[[2-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine
CID 155011735
[2-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate;methane;2-(4-methylphenyl)ethanamine;3-[2-[4-(trifluoromethyl)phenyl]ethyl]-6-[[2-[[3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;dihydrochloride
CID 159303148
[2-(carbamimidoylsulfanylmethyl)-4-fluorophenyl]methyl carbamimidothioate;6-[[4-fluoro-2-[[3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazine;methane;2-(4-methylphenyl)ethanamine;dihydrobromide
CID 159848547

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 138574600) is 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is CCc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(CC)cc4)CN3)NC2)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is RMHOZNJMHASGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6S2/c1-3-27-9-13-29(14-10-27)17-19-39-23-35-33(36-24-39)41-21-31-7-5-6-8-32(31)22-42-34-37-25-40(26-38-34)20-18-30-15-11-28(4-2)12-16-30/h5-16H,3-4,17-26H2,1-2H3,(H,35,36)(H,37,38).
What are the key properties of 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 600.90 g/mol, XLogP of 6.12, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)ethyl]-6-[[2-[[3-[2-(4-ethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 138574600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).