Basic information
- Standard SMILES
Cc1ccc(C(C)C)c(NC(=S)NC(=O)NCCCc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1- InChIKey
SQMRMOIWZYPWAS-UHFFFAOYSA-N- Molecular formula
- C30H31F3N6O2S
- Average molar mass
- 596.7 g/mol
Names & identifiers
- Preferred name
- 1-[(2-Isopropyl-5-methyl-phenyl)carbamothioyl]-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]urea
- IUPAC
- 1-[(5-methyl-2-propan-2-ylphenyl)carbamothioyl]-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]urea
Names & synonyms
1-[(2-isopropyl-5-methyl-phenyl)carbamothioyl]-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]ureaSCHEMBL16030483SCHEMBL306043221-[(2-isopropyl-5-methyl-phenyl)carbamothioyl]-3-[3-[4-[1-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]propyl]urea
Database identifiers
- PubChem CID
- 90404474
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 864
Related reactions
6 records
Compound notes
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