Basic information
- CAS
85868-76-4- Standard SMILES
COc1ccccc1N1CCN(CCCOc2ccc(NC(=S)Nc3ccccc3)cc2)CC1- InChIKey
ODWKFCLUFMZQQC-UHFFFAOYSA-N- Molecular formula
- C27H32N4O2S
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.22459745
Names & identifiers
- Preferred name
- Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl-
- IUPAC
- 1-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylthiourea
Names & synonyms
BRN 4607943Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl-85868-76-4N-(4-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenylthioureaDTXSID70235180RefChem:385488DTXCID70157671N-(4-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy}phenyl)-N'-phenylthiourea
Database identifiers
- CAS
85868-76-4- PubChem CID
- 3070147
- DTXSID
DTXSID70235180
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…