N-butyl-10,12-dichloro-7-pyrrolidin-1-yl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,4,6,9,11-pentaen-3-imine
Basic information
- CAS
91757-87-8- Standard SMILES
CCCCN=c1nc2n3c(c(Cl)cc(Cl)c3n1)NC(N1CCCC1)=N2- InChIKey
HEBZBNDVXADMCW-UHFFFAOYSA-N- Molecular formula
- C16H19Cl2N7
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.107899
Names & identifiers
- Preferred name
- N-butyl-10,12-dichloro-7-pyrrolidin-1-yl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,4,6,9,11-pentaen-3-imine
- IUPAC
- N-butyl-10,12-dichloro-7-pyrrolidin-1-yl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,4,6,9,11-pentaen-3-imine
Names & synonyms
NSC36628891757-87-8DTXSID80419595NSC-366288N-Butyl-7,9-dichloro-5-(pyrrolidin-1-yl)-1,3,4,6,9b-pentaazaphenalen-2-amine
Database identifiers
- CAS
91757-87-8- PubChem CID
- 339498
- DTXSID
DTXSID80419595
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 769
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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