Basic information
- CAS
6064-01-3- Standard SMILES
COc1ccc(Cl)c(NC(=O)CSc2nc(C)cc(C)n2)c1- InChIKey
HBCYEWLQWWSJDY-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3O2S
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.0651756
Names & identifiers
- Preferred name
- N-(2-chloro-5-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
- IUPAC
- N-(2-chloro-5-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Names & synonyms
6064-01-3N-(2-chloro-5-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamideN-(2-chloro-5-methoxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamideZINC00284515CBMicro_043577DTXSID70354921BIM-0043520.P001AG-690/12089034N-(2-chloro-5-methoxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamideN-(2-CHLORO-5-METHOXYPHENYL)-2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
Database identifiers
- CAS
6064-01-3- PubChem CID
- 786804
- DTXSID
DTXSID70354921
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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