HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3078613Generated: November 1, 2026
2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-, dihydrochloride, hydrate
https://huagongshe.com/en/chemical/3078613
Identifiers & Physical Properties
| CAS No. | 121943-05-3 |
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| Molecular formula | C28H31Cl3N4OS |
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| Average molar mass | 578 g/mol |
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| Monoisotopic mass | 576.128416 g/mol |
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| SMILES | Cl.Cl.O=c1[nH]c2ccccc2n1CCCN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 |
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| InChIKey | WLQNDJDNLPVSFG-UHFFFAOYSA-N |
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| PubChem CID | 3078613 |
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| DTXSID | DTXSID70924027 |
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Chemical & Physical Properties
| Topological polar surface area | 64.1 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 734 |
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