RefChem:1095928
bis((E)-but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine
Also Known As: VUFB-12,333|Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(4-fluorophenoxy)ethyl)-,(Z)-2-butenedioate (1:2)|(E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine
CAS: 77602-99-4
| Molecular Formula | C34H34ClFN2O9S |
|---|---|
| Molecular Weight | 700.1658 g/mol |
| LogP | 5.3477 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 700.1658 |
| Monoisotopic Mass | 700.1658 |
| Heavy Atoms | 48 |
| Complexity | 1561.0398 |
Chemical Identifiers
| CAS Number | 77602-99-4 |
|---|---|
| SMILES | C1N(CCN(C1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CCOC5=CC=C(C=C5)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095928 (CAS 77602-99-4), with molecular formula C34H34ClFN2O9S and molecular weight 700.1658 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(4-fluorophenoxy)ethyl]piperazine.
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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