Basic information
- CAS
76870-12-7- Standard SMILES
O=C(COc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)N1CCCCC1- InChIKey
LSIOAKSOHUVFLB-UHFFFAOYSA-N- Molecular formula
- C20H22BrN3O2S
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 447.06161
Names & identifiers
- Preferred name
- Piperidine, 1-((4-((((4-bromophenyl)amino)thioxomethyl)amino)phenoxy)acetyl)-
- IUPAC
- 1-(4-bromophenyl)-3-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]thiourea
Names & synonyms
Piperidine, 1-((4-((((4-bromophenyl)amino)thioxomethyl)amino)phenoxy)acetyl)-Thiourea, N-(4-bromophenyl)-N'-(4-(2-(1-piperidinyl)-2-oxoethoxy)phenyl)-76870-12-7DTXSID202276711-((4-((((4-Bromophenyl)amino)thioxomethyl)amino)phenoxy)acetyl)piperidineRefChem:372849DTXCID70150162N-(4-Bromophenyl)-N'-{4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}thiourea
Database identifiers
- CAS
76870-12-7- PubChem CID
- 3059613
- DTXSID
DTXSID20227671
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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