AC1M0BBT structure

AC1M0BBT

2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-1-phenylethanone

Also Known As: 2-((5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-phenylethanone|2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-1-phenylethanone

CAS: 899379-73-8
Molecular Formula C26H21N3O3S2
Molecular Weight 487.10245 g/mol
LogP 6.3258
Topological Polar Surface Area 78.11 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 487.10245
Monoisotopic Mass 487.10245
Heavy Atoms 34
Complexity 1526.0448

Chemical Identifiers

CAS Number 899379-73-8
SMILES CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC(=O)C5=CC=CC=C5)C6=CC=CO6)C

Product Overview

AC1M0BBT (CAS 899379-73-8), with molecular formula C26H21N3O3S2 and molecular weight 487.10245 g/mol. IUPAC: 2-[[8-(furan-2-yl)-4,4-dimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-1-phenylethanone.

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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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