N-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)-N'-(2-chlorophenyl)urea

HCID 19085347
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Basic information

Standard SMILES
CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNC(=O)Nc2ccccc2Cl)s1
InChIKey
UPQSILJTUSUJJB-UHFFFAOYSA-N
Molecular formula
C24H21Cl2N5O2S
Average molar mass
514.4 g/mol

Names & identifiers

Preferred name
N-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)-N'-(2-chlorophenyl)urea
IUPAC
1-[[4-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)urea

Names & synonyms

SCHEMBL8695112UPQSILJTUSUJJB-UHFFFAOYSA-NN-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)-N'-(2-chlorophenyl)urea

Database identifiers

PubChem CID
19085347

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
34

Related reactions

2 records
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Linked notes

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