Basic information
- CAS
208848-41-3- Standard SMILES
COc1c2c(cc3nc4ccccc4nc13)CC[C@H](NC(C)=O)c1cc(=O)c(SC)ccc1-2- InChIKey
ISDVTNLHLWJWPY-SFHVURJKSA-N- Molecular formula
- C26H23N3O3S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.14601278
Names & identifiers
- Preferred name
- N-[(6S)-4,6,7,8-Tetrahydro-16-methoxy-3-(methylthio)-4-oxoheptaleno[1,2-b]phenazin-6-yl]acetamide
- IUPAC
- N-[(22S)-13-methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide
Names & synonyms
NSC700913CHEMBL2006691DTXSID201115703NSC-700913208848-41-3N-[(6S)-4,6,7,8-Tetrahydro-16-methoxy-3-(methylthio)-4-oxoheptaleno[1,2-b]phenazin-6-yl]acetamideNCI60_036252N-[(6S)-16-Methoxy-3-(methylsulfanyl)-4-oxo-4,6,7,8-tetrahydroheptaleno[1,2-b]phenazin-6-yl]acetamide
Database identifiers
- CAS
208848-41-3- PubChem CID
- 395872
- DTXSID
DTXSID201115703- ChEMBL
CHEMBL2006691
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 897
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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