(1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-f:11,12-f')bisbenzothiazole-2,14-diamine, 6,7,9,10,18,19,21,22-octahydro-
Basic information
- CAS
106000-45-7- Standard SMILES
Nc1nc2cc3c(cc2s1)OCCOCCOc1cc2nc(N)sc2cc1OCCOCCO3- InChIKey
XZYSFYOWJFAIRH-UHFFFAOYSA-N- Molecular formula
- C22H24N4O6S2
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.11372685
Names & identifiers
- Preferred name
- (1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-f:11,12-f')bisbenzothiazole-2,14-diamine, 6,7,9,10,18,19,21,22-octahydro-
- IUPAC
- 2,5,8,18,21,24-hexaoxa-12,28-dithia-14,30-diazapentacyclo[23.7.0.09,17.011,15.027,31]dotriaconta-1(25),9(17),10,13,15,26,29,31-octaene-13,29-diamine
Names & synonyms
BRN 4831402(1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-f:11,12-f')bisbenzothiazole-2,14-diamine, 6,7,9,10,18,19,21,22-octahydro-106000-45-7cis-2,14-Diaminodibenzothiazolo(6,5-b;6,5-k)-18-crown-6DTXSID80147462RefChem:204362DTXCID60699536,7,9,10,18,19,21,22-Octahydro[1,3]thiazolo[4',5':18,19][1,4,7,10,13,16]benzohexaoxacyclooctadecino[8,9-f][1,3]benzothiazole-2,14-diamine
Database identifiers
- CAS
106000-45-7- PubChem CID
- 60066
- DTXSID
DTXSID80147462
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 590
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Compound notes
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