AC1MX4TZ
4-[(4-bromophenyl)methyl]-12,12-dimethyl-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-(4-bromobenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4-one|3-(4-bromobenzyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d][1,2,3]triazin-4(8H)-one
CAS: 877802-70-5
| Molecular Formula | C17H16BrN3O2S |
|---|---|
| Molecular Weight | 405.01465 g/mol |
| LogP | 3.5151 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.01465 |
| Monoisotopic Mass | 405.01465 |
| Heavy Atoms | 24 |
| Complexity | 975.9046 |
Chemical Identifiers
| CAS Number | 877802-70-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(N=N3)CC4=CC=C(C=C4)Br)C |
Product Overview
AC1MX4TZ (CAS 877802-70-5), with molecular formula C17H16BrN3O2S and molecular weight 405.01465 g/mol. IUPAC: 4-[(4-bromophenyl)methyl]-12,12-dimethyl-11-oxa-8-thia-4,5,6-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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