Co-Pyronil
Basic information
- CAS
57158-52-8- Standard SMILES
CN(C)CCN(Cc1cccs1)c1ccccn1.CNC(C)CC1CCCC1.Cl.Cl.Clc1ccc(C/C(=C/CN2CCCC2)c2ccccc2)cc1.O=P(O)(O)O.O=P(O)(O)O- InChIKey
OSWMUZSZPBFWMK-JRCONXQDSA-N- Molecular formula
- C43H68Cl3N5O8P2S
- Average molar mass
- 983.4 g/mol
- Monoisotopic mass
- 981.332942
Names & identifiers
- Preferred name
- Co-Pyronil
- IUPAC
- 1-[(Z)-4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;1-cyclopentyl-N-methylpropan-2-amine;N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;phosphoric acid;dihydrochloride
Names & synonyms
Co-Pyronil1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)-, monohydrochloride, mixt. with 1-(4-(4-chlorophenyl)-3-phenyl-2-butenyl)pyrrolidine phosphate (1:2) and N,alpha-dimethylcyclopentaneethanamine hydrochloride57158-52-8
Database identifiers
- CAS
57158-52-8- PubChem CID
- 124201433
Properties
Computed structural properties
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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