Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 161970670생성일: 2026년 10월 31일
(2S)-1-(2-aminochloranuidylacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(3,5-difluorophenyl)boronic acid;3-(3,5-difluorophenyl)pyridine-4-carboxylic acid;(2S)-1-[4-[3-(3,5-difluorophenyl)-4-pyridinyl]-4-oxobutanoyl]-4,4-difluoropyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-(3,5-difluorophenyl)pyridine-4-carboxylate
https://huagongshe.com/ko/chemical/161970670
식별자 및 물리적 특성
| 분자식 | C65H51BBrClF12N9O11- |
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| 평균 분자량 | 1,488.3 g/mol |
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| SMILES | B(C1=CC(=CC(=C1)F)F)(O)O.COC(=O)C1=C(C=NC=C1)C2=CC(=CC(=C2)F)F.COC(=O)C1=C(C=NC=C1)Br.C1[C@H](N(CC1(F)F)C(=O)CCC(=O)C2=C(C=NC=C2)C3=CC(=CC(=C3)F)F)C#N.C1[C@H](N(CC1(F)F)C(=O)C[Cl-]N)C#N.C1=CN=CC(=C1C(=O)O)C2=CC(=CC(=C2)F)F |
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| InChIKey | CKEOKXFCUVIHHH-YIDYHAITSA-N |
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| PubChem CID | 161970670 |
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화학 및 물리적 성질
| 극성 표면적 | 313 |
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| 수소 결합 공여자 수 | 4 |
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| 수소 결합 수용자 수 | 31 |
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| 회전 가능 결합 수 | 14 |
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| 무거운 원자 수 | 100 |
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| 형식 전하 | -1 |
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| 복잡도 | 1,800 |
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![(2S)-1-(2-aminochloranuidylacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;(3,5-difluorophenyl)boronic acid;3-(3,5-difluorophenyl)pyridine-4-carboxylic acid;(2S)-1-[4-[3-(3,5-difluorophenyl)-4-pyridinyl]-4-oxobutanoyl]-4,4-difluoropyrrolidine-2-carbonitrile;methyl 3-bromopyridine-4-carboxylate;methyl 3-(3,5-difluorophenyl)pyridine-4-carboxylate 분자 구조식](/img/chemical/161970670.png)