Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-, mixt. with 1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo(1,2-a)pyrimidin-6(2H)-one
Basic information
- CAS
113639-02-4- Standard SMILES
CC1(C)CN2C(=O)CCC2(C)N(C(=O)C(Cl)Cl)C1.Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl- InChIKey
GHVSILXXEZNKLX-UHFFFAOYSA-N- Molecular formula
- C26H34Cl3N5O3
- Average molar mass
- 570.9 g/mol
- Monoisotopic mass
- 569.172723
Names & identifiers
- Preferred name
- Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-, mixt. with 1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo(1,2-a)pyrimidin-6(2H)-one
- IUPAC
- 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;1-(2,2-dichloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
Names & synonyms
113639-02-4Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-, mixt. with 1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo(1,2-a)pyrimidin-6(2H)-oneDTXSID20921142BAS 485-43H2-Chloro-N-(2,6-dimethylphenyl)-N-[(1H-pyrazol-1-yl)methyl]acetamide--1-(dichloroacetyl)-3,3,8a-trimethylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one (1/1)
Database identifiers
- CAS
113639-02-4- PubChem CID
- 188784
- DTXSID
DTXSID20921142
Properties
Computed structural properties
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 701
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