N-[[4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
Basic information
- CAS
6945-63-7- Standard SMILES
CNP(=S)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1- InChIKey
SMBWZBHVDSCNOL-UHFFFAOYSA-N- Molecular formula
- C17H18Cl4N3OPS
- Average molar mass
- 485.2 g/mol
- Monoisotopic mass
- 482.966231
Names & identifiers
- Preferred name
- N-[[4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
- IUPAC
- N-[[4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
Names & synonyms
N-[[4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine6945-63-7NSC52133DTXSID70328763NSC-52133DS-011853O-(2,4,5-Trichlorophenyl) P-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylphosphonamidothioate
Database identifiers
- CAS
6945-63-7- PubChem CID
- 413801
- DTXSID
DTXSID70328763
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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