Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
Basic information
- CAS
38479-08-2- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)CCl)CC2- InChIKey
WRQYTVSIGKEZEJ-UHFFFAOYSA-N- Molecular formula
- C22H24ClNO5S
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.1063717
Names & identifiers
- Preferred name
- Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
- IUPAC
- 2-chloro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Names & synonyms
17-Chloro-10-demethoxy-10-methylthiocolchicineNSC 261044BRN 2790213Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-RefChem:31472338479-08-2
Database identifiers
- CAS
38479-08-2- PubChem CID
- 99910
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 765
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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