Bms-250749
7,19-difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Also Known As: BMS 250749|5H-Indolo(2,3-a)pyrrolo(3,4-C)carbazole-5,7(6H)-dione, 12-(4-deoxy-4-fluoro-beta-D-glucopyranosyl)-3,9-difluoro-12,13-dihydro-|7,19-Difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione|5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOLE-5,7(6H)-DIONE, 12-(4-DEOXY-4-FLUORO-.BETA.-D-GLUCOPYRANOSYL)-3,9-DIFLUORO-12,13-DIHYDRO-
| Molecular Formula | C26H18F3N3O6 |
|---|---|
| Molecular Weight | 525.11475 g/mol |
| LogP | 2.5404 |
| Topological Polar Surface Area | 136.81 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 525.11475 |
| Monoisotopic Mass | 525.11475 |
| Heavy Atoms | 38 |
| Complexity | 1862.1274 |
Chemical Identifiers
| CAS Number | 406913-72-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C3=C4C(=C5C6=C(C=CC(=C6)F)N(C5=C3N2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)F)O)O)C(=O)NC4=O |
Product Overview
Bms-250749 (CAS 406913-72-2), with molecular formula C26H18F3N3O6 and molecular weight 525.11475 g/mol. IUPAC: 7,19-difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
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