Methyl 3-cyclopentyl-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]prop-2-enoate

HCID 67486643
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Basic information

Standard SMILES
COC(=O)C(=CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1
InChIKey
LSBITXRRZBZOHT-UHFFFAOYSA-N
Molecular formula
C18H19F3N4O2
Average molar mass
380.4 g/mol

Names & identifiers

Preferred name
Methyl 3-cyclopentyl-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]prop-2-enoate
IUPAC
methyl 3-cyclopentyl-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]prop-2-enoate

Names & synonyms

SCHEMBL2658917

Database identifiers

PubChem CID
67486643

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
69.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

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