Basic information
- Standard SMILES
COc1ccc(-c2cc3ccccc3[nH]2)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1- InChIKey
WWWHDYQZOQFJPK-UHFFFAOYSA-N- Molecular formula
- C22H17Cl2N3OS
- Average molar mass
- 442.4 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-Dichloro-phenyl)-3-[5-(1H-indol-2-yl)-2-methoxy-phenyl]-thiourea
- IUPAC
- 1-(3,5-dichlorophenyl)-3-[5-(1H-indol-2-yl)-2-methoxyphenyl]thiourea
Names & synonyms
SCHEMBL6496744WWWHDYQZOQFJPK-UHFFFAOYSA-N1-(3,5-Dichloro-phenyl)-3-[5-(1H-indol-2-yl)-2-methoxy-phenyl]-thiourea
Database identifiers
- PubChem CID
- 10138249
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 558
Related reactions
2 records
Compound notes
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