Basic information
- CAS
91757-88-9- Standard SMILES
CCCOC1=NC2=NC(N3CCCC3)=NC3=C(Cl)C=C(Cl)C(=N1)N23- InChIKey
KISZPSJKHQEMPQ-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N6O
- Average molar mass
- 367.2 g/mol
- Monoisotopic mass
- 366.0762645
Names & identifiers
- Preferred name
- 10,12-Dichloro-3-propoxy-7-pyrrolidin-1-yl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
- IUPAC
- 10,12-dichloro-3-propoxy-7-pyrrolidin-1-yl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
Names & synonyms
NSC36622691757-88-9DTXSID20320914NSC-3662267,9-Dichloro-2-propoxy-5-(pyrrolidin-1-yl)-1,3,4,6,9b-pentaazaphenalene
Database identifiers
- CAS
91757-88-9- PubChem CID
- 339488
- DTXSID
DTXSID20320914
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 758
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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