1-[Tert-butyl-(3,5-dimethylbenzoyl)amino]-3-(diphenoxyphosphorylmethyl)urea
Basic information
- CAS
496967-28-3- Standard SMILES
Cc1cc(C)cc(C(=O)N(NC(=O)NCP(=O)(Oc2ccccc2)Oc2ccccc2)C(C)(C)C)c1- InChIKey
BKRWCUOHPXKGLX-UHFFFAOYSA-N- Molecular formula
- C27H32N3O5P
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 509.20795813
Names & identifiers
- Preferred name
- 1-[Tert-butyl-(3,5-dimethylbenzoyl)amino]-3-(diphenoxyphosphorylmethyl)urea
- IUPAC
- 1-[tert-butyl-(3,5-dimethylbenzoyl)amino]-3-(diphenoxyphosphorylmethyl)urea
- English name
- diphenyl ({[2-tert-butyl-2-(3,5-dimethylbenzoyl)hydrazino]carbonyl}amino)methylphosphonate
- Molecular formula
- C27H32N3O5P
- Molecular weight
- 509.533841
Names & synonyms
AO-359/40796534diphenyl ({[2-tert-butyl-2-(3,5-dimethylbenzoyl)hydrazino]carbonyl}amino)methylphosphonate
Database identifiers
- CAS
496967-28-3- PubChem CID
- 1816757
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 740
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Compound notes
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