3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione

C19H18ClN3O2S — CID 155806773

IUPAC3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
SMILESCSc1nc(=O)n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(C)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13-3-5-14(6-4-13)12-23-18(26-2)21-17(24)22(19(23)25)11-15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyRJWSGADWYOBYGV-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.19
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione

3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione (PubChem CID 155806773) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
PubChem CID155806773
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
SMILESCSc1nc(=O)n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(C)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13-3-5-14(6-4-13)12-23-18(26-2)21-17(24)22(19(23)25)11-15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyRJWSGADWYOBYGV-UHFFFAOYSA-N
XLogP3.19
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione (CID 155806773) is 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione is CSc1nc(=O)n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(C)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
The InChIKey is RJWSGADWYOBYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13-3-5-14(6-4-13)12-23-18(26-2)21-17(24)22(19(23)25)11-15-7-9-16(20)10-8-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione?
3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione has a molecular weight of 387.89 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 155806773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).