Basic information
- CAS
209860-27-5- Standard SMILES
O=C1N(CCCl)N=Nc2cccc3c2N1CCC3- InChIKey
LBTQWWNBQIOWOT-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O
- Average molar mass
- 264.71 g/mol
- Monoisotopic mass
- 264.0777887
Names & identifiers
- Preferred name
- 6H-Pyrido(1,2,3-ef)-1,2,3,5-benzotetrazepin-4(3H)-one,3-(2-chloroethyl)-7,8-dihydro-
- IUPAC
- 12-(2-chloroethyl)-1,10,11,12-tetrazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8,10-tetraen-13-one
Names & synonyms
6H-Pyrido(1,2,3-ef)-1,2,3,5-benzotetrazepin-4(3H)-one,3-(2-chloroethyl)-7,8-dihydro-209860-27-5DTXSID701751983-(2-Chloroethyl)-7,8-dihydro-6H-[1,2,3,5]tetrazepino[7,6,5-ij]quinolin-4(3H)-one
Database identifiers
- CAS
209860-27-5- PubChem CID
- 154155
- DTXSID
DTXSID70175198- Nikkaji
- J960.416B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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