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

HCID 19085331
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Basic information

Standard SMILES
CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNC(=O)Nc2ccccc2)s1
InChIKey
JCUWALWMPUQSPH-UHFFFAOYSA-N
Molecular formula
C24H22ClN5O2S
Average molar mass
480 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL8694336JCUWALWMPUQSPH-UHFFFAOYSA-NN-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethyl)-N'-phenylurea

Database identifiers

PubChem CID
19085331

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

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