AC1LXSB9
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv1_008747|HMS611N13|AE-848/41008799|SR-01000475031-1|2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-((benzo[d]oxazol-2-ylthio)methyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|4-(1,3-Benzoxazol-2-ylsulfanylmethyl)-11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
| Molecular Formula | C29H21N5O4S |
|---|---|
| Molecular Weight | 535.1314 g/mol |
| LogP | 6.6552 |
| Topological Polar Surface Area | 100.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.1314 |
| Monoisotopic Mass | 535.1314 |
| Heavy Atoms | 39 |
| Complexity | 1908.1711 |
Chemical Identifiers
| CAS Number | 370577-18-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(OC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5)C7=CC=C(C=C7)OC |
Product Overview
AC1LXSB9 (CAS 370577-18-7), with molecular formula C29H21N5O4S and molecular weight 535.1314 g/mol. IUPAC: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.