AC1LDAB4
2-[4-(7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)piperazin-1-yl]ethanol
Also Known As: 2-(4-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)piperazin-1-yl)ethanol|2-{4-[4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]piperazin-1-yl}ethanol
CAS: 845985-16-2
| Molecular Formula | C22H28N6O2S |
|---|---|
| Molecular Weight | 440.19943 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.19943 |
| Monoisotopic Mass | 440.19943 |
| Heavy Atoms | 31 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 845985-16-2 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC3=C2C4=C(S3)C(=NC=N4)N5CCN(CC5)CCO)N6CCOCC6 |
| InChIKey | VACQYJGMWIXCLR-UHFFFAOYSA-N |
Product Overview
AC1LDAB4 (CAS 845985-16-2), with molecular formula C22H28N6O2S and molecular weight 440.19943 g/mol. IUPAC: 2-[4-(7-morpholin-4-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)piperazin-1-yl]ethanol.
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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