Basic information
- CAS
85868-75-3- Standard SMILES
CCNC(=S)Nc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1- InChIKey
NBNGBVACRAADOE-UHFFFAOYSA-N- Molecular formula
- C22H30N4OS
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.21403277
Names & identifiers
- Preferred name
- Thiourea, N-ethyl-N'-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
- IUPAC
- 1-ethyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]thiourea
Names & synonyms
BRN 4581322Thiourea, N-ethyl-N'-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-85868-75-3DTXSID60235179N-Ethyl-N'-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)thioureaRefChem:385516DTXCID10157670N-Ethyl-N'-{4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl}thiourea
Database identifiers
- CAS
85868-75-3- PubChem CID
- 3070146
- DTXSID
DTXSID60235179
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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