Basic information
- CAS
872196-58-2- Standard SMILES
COc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2Cc2ccccc2O3)c1- InChIKey
CPZISMUSXDCAPK-UHFFFAOYSA-N- Molecular formula
- C26H21N3O3S
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.13036271
Names & identifiers
- Preferred name
- N-(3-Methoxyphenyl)-2-({2-phenyl-5H-chromeno[2,3-D]pyrimidin-4-YL}sulfanyl)acetamide
- IUPAC
- N-(3-methoxyphenyl)-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Names & synonyms
872196-58-2N-(3-METHOXYPHENYL)-2-({2-PHENYL-5H-CHROMENO[2,3-D]PYRIMIDIN-4-YL}SULFANYL)ACETAMIDEN-(3-Methoxyphenyl)-2-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]acetamideN-(3-Methoxyphenyl)-2-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamideN-(3-methoxyphenyl)-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamideDTXSID501126363AKOS001838186F1605-0466N-(3-methoxyphenyl)-2-((2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio)acetamide
Database identifiers
- CAS
872196-58-2- PubChem CID
- 2138017
- DTXSID
DTXSID501126363
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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