Basic information
- CAS
82983-06-0- Standard SMILES
CCn1c2ccc(N=C=O)cc2c2c3[nH]c(=O)c4cccn4c3ccc21- InChIKey
RFZMWCMMOYDRMW-UHFFFAOYSA-N- Molecular formula
- C20H14N4O2
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.1116757
Names & identifiers
- Preferred name
- Rfzmwcmmoydrmw-uhfffaoysa-
- IUPAC
- 9-ethyl-5-isocyanato-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-19-one
Names & synonyms
NSC34055882983-06-0RFZMWCMMOYDRMW-UHFFFAOYSA-DTXSID20319161NSC-3405587-Ethyl-10-isocyanato-7,12-dihydro-13H-pyrrolo[1',2':1,6]pyrazino[2,3-c]carbazol-13-oneInChI=1/C20H14N4O2/c1-2-23-14-6-5-12(21-11-25)10-13(14)18-15(23)7-8-16-19(18)22-20(26)17-4-3-9-24(16)17/h3-10H,2H2,1H3,(H,22,26)
Database identifiers
- CAS
82983-06-0- PubChem CID
- 334690
- DTXSID
DTXSID20319161
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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