RefChem:204362
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
Also Known As: AC1L1SJN|RefChem:204362|BRN 4831402|AC1Q70X9|cis-2,14-Diaminodibenzothiazolo(6,5-b;6,5-k)-18-crown-6|(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-|cis-2,14-diaminodibenzothiazolo(6,5-b,6,5-k)-18-crown-6|6,7,9,10,18,19,21,22-Octahydro[1,3]thiazolo[4',5':18,19][1,4,7,10,13,16]benzohexaoxacyclooctadecino[8,9-f][1,3]benzothiazole-2,14-diamine|6,7,9,10,18,19,21,22-octahydro[1,3]thiazolo[4',5':18,19][1,4,7,10,13,16]benzohexaoxacyclooctadecino[8,9-f][1,3]benzothiazole-2,14-diamine(non-preferred name)
| Molecular Formula | C22H24N4O6S2 |
|---|---|
| Molecular Weight | 504.11374 g/mol |
| LogP | 3.33 |
| Topological Polar Surface Area | 133.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 504.11374 |
| Heavy Atoms | 34 |
| Complexity | 1089.5 |
Chemical Identifiers
| CAS Number | 106000-45-7 |
|---|---|
| SMILES | C1COC2=C(C=C3C(=C2)N=C(S3)N)OCCOCCOC4=C(C=C5C(=C4)N=C(S5)N)OCCO1 |
Product Overview
RefChem:204362 (CAS 106000-45-7), with molecular formula C22H24N4O6S2 and molecular weight 504.11374 g/mol. 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.
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