HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3516396Erstellt: 1. November 2026
2-({5-[3-(morpholine-4-sulfonyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
https://huagongshe.com/de/chemical/3516396
Identifikatoren & physikalische Daten
| CAS No. | 523983-93-9 |
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| Summenformel | C30H30F3N5O5S2 |
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| Durchschnittliche Molmasse | 661,7 g/mol |
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| Monoisotopische Masse | 661,16404591 g/mol |
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| SMILES | CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(OC(F)(F)F)cc2)cc1 |
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| InChIKey | UENHMSTYHNSINA-UHFFFAOYSA-N |
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| PubChem CID | 3516396 |
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| EC No. | 821-060-1 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,6 |
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| Polarare Oberfläche (TPSA) | 149 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 12 |
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| Frei drehbare Bindungen | 10 |
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| Schwere Atome | 45 |
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| Formalladung | 0 |
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| Komplexität | 1.060 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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![Molekülstruktur von 2-({5-[3-(morpholine-4-sulfonyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide](/img/chemical/3516396.png)