Basic information
- CAS
82996-74-5- Standard SMILES
CCCCOC(=O)Nc1ccc2c(c1)c1c3[nH]c(=O)c4cccn4c3ccc1n2CC- InChIKey
AQJYMFHCKWNPTM-UHFFFAOYSA-N- Molecular formula
- C24H24N4O3
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.18484064
Names & identifiers
- Preferred name
- butyl N-(9-ethyl-19-oxo-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,15,17-octaen-5-yl)carbamate
- IUPAC
- butyl N-(9-ethyl-19-oxo-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,15,17-octaen-5-yl)carbamate
Names & synonyms
NSC34056682996-74-5DTXSID80319167NSC-340566Butyl (7-ethyl-13-oxo-12,13-dihydro-7H-pyrrolo[1',2':1,6]pyrazino[2,3-c]carbazol-10-yl)carbamate
Database identifiers
- CAS
82996-74-5- PubChem CID
- 334698
- DTXSID
DTXSID80319167
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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