14,16-Bis[3-(dimethylamino)propyl]-10-nitro-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-15-thione;hydrochloride
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Basic information
- Standard SMILES
CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3ccccc3nc3c([N+](=O)[O-])ccc1c23.Cl- InChIKey
SSKOPPVRIPUKBT-UHFFFAOYSA-N- Molecular formula
- C24H31ClN6O2S
- Average molar mass
- 503.1 g/mol
- Monoisotopic mass
- 502.1917731
Names & identifiers
- Preferred name
- 14,16-Bis[3-(dimethylamino)propyl]-10-nitro-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-15-thione;hydrochloride
- IUPAC
- 14,16-bis[3-(dimethylamino)propyl]-10-nitro-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-15-thione;hydrochloride
Names & synonyms
NSC691848CHEMBL2000209NSC-691848
Database identifiers
- PubChem CID
- 392055
- ChEMBL
CHEMBL2000209
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 701
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