2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
Basic information
- Standard SMILES
O=C(NCCN1CCCC1)C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1- InChIKey
IVXDTOLICPPPGJ-UHFFFAOYSA-N- Molecular formula
- C28H31ClN4O2S
- Average molar mass
- 523.1 g/mol
Names & identifiers
- Preferred name
- 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
- IUPAC
- 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
Names & synonyms
SCHEMBL5404674
Database identifiers
- PubChem CID
- 72441069
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 670
Related reactions
2 records
Compound notes
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