AC1NKTM7
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-16-(furan-2-yl)-14-methyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
Also Known As: 1,3-BENZOXAZOL-2-YL {[11-(2-FURYL)-10-METHYL-8-PHENYL-8,11-DIHYDROPYRAZOLO[4',3':5,6]PYRANO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL} SULFIDE|2-((benzo[d]oxazol-2-ylthio)methyl)-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C28H19N7O3S |
|---|---|
| Molecular Weight | 533.127 g/mol |
| LogP | 5.93082 |
| Topological Polar Surface Area | 109.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.127 |
| Monoisotopic Mass | 533.127 |
| Heavy Atoms | 39 |
| Complexity | 1942.303 |
Chemical Identifiers
| CAS Number | 899401-33-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C3=C(O2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6O5)C7=CC=CO7)C8=CC=CC=C8 |
Product Overview
AC1NKTM7 (CAS 899401-33-3), with molecular formula C28H19N7O3S and molecular weight 533.127 g/mol. IUPAC: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-16-(furan-2-yl)-14-methyl-12-phenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene.