Benzyl-(2-chloropyrimidin-4-yl)carbamic acid 2,6-dimethylphenyl ester
Basic information
- CAS
837421-43-9- Standard SMILES
Cc1cccc(C)c1OC(=O)N(Cc1ccccc1)c1ccnc(Cl)n1- InChIKey
WMPKQQSCTRYATP-UHFFFAOYSA-N- Molecular formula
- C20H18ClN3O2
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1087545
Names & identifiers
- Preferred name
- Benzyl-(2-chloropyrimidin-4-yl)carbamic acid 2,6-dimethylphenyl ester
- IUPAC
- (2,6-dimethylphenyl) N-benzyl-N-(2-chloropyrimidin-4-yl)carbamate
Names & synonyms
SCHEMBL4821814WMPKQQSCTRYATP-UHFFFAOYSA-NDTXSID901151970benzyl-(2-chloropyrimidin-4-yl)carbamic acid 2,6-dimethylphenyl ester837421-43-92,6-Dimethylphenyl benzyl(2-chloropyrimidin-4-yl)carbamate2,6-Dimethylphenyl N-(2-chloro-4-pyrimidinyl)-N-(phenylmethyl)carbamate
Database identifiers
- CAS
837421-43-9- PubChem CID
- 11624827
- DTXSID
DTXSID901151970
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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