Basic information
- CAS
25269-21-0- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(N)cc1C(NC(C)=O)CC2- InChIKey
RUFVXHLYYCFXHF-UHFFFAOYSA-N- Molecular formula
- C21H24N2O5
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.16852187
Names & identifiers
- Preferred name
- Isocolchiceinamide
- IUPAC
- N-(9-amino-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Names & synonyms
Isocolchiceinamide25269-21-0NSC403145NSC 403145NSC-403145Acetamide,6,7,10-tetrahydro-1,2,3-trimethoxy-10-oxobenzo[a]heptalen-7-yl)-, (S)-Acetamide, N-(9-amino-5,6,7,10-tetrahydro-1,2,3-trimethoxy-10-oxobenzo(a)heptalen-7-yl)-, (S)-
Database identifiers
- CAS
25269-21-0- PubChem CID
- 101124
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 726
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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