기본 정보
- CAS
502628-66-2- 표준 SMILES
CC(=O)N1CCC(CC(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C[C@@H]2C(C)(C)C)CC1- InChIKey
AEDJOEAGMKHNID-HHHXNRCGSA-N- 분자식
- C30H39Cl2N3O2
- 평균 분자량
- 544.6 g/mol
- 단동위원소 질량
- 543.2419329
이름 및 식별자
- 우선 이름
- 2-(1-Acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-tert-butylpiperazin-1-yl]ethanone
- IUPAC
- 2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-tert-butylpiperazin-1-yl]ethanone
- 영어명
- Ethanone, 2-(1-acetyl-4-piperidinyl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-1-piperazinyl]-
- 분자식
- C30H39Cl2N3O2
- 분자량
- 544.56
이름 및 동의어
502628-66-2SCH-451659piperazinyl]-ethanone2-(1-Acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-tert-butylpiperazin-1-yl]ethanonechlorophenyl)methyl]-2-(1,1-dimethylethyl)-1-SCH451659;STX1383;2-(1-Acetyl-4-piperidinyl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-1-piperazinyl]-ethanone2-(1-Acetyl-4-piperidinyl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-1-piperazinyl]-ethanoneSCHEMBL140330222-(1-Acetyl-4-piperidinyl)-1-[(2S)-4-[bis(4- chlorophenyl)methyl]-2-(1,1-dimethylethyl)-1- piperazinyl]-ethanone2-(1-acetylpiperidin-4-yl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-tert-butylpiperazin-1-yl]ethan-1-oneEX-A9489AKOS040749460
이름 더 보기
STX1383Ethanone, 2-(1-acetyl-4-piperidinyl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-1-piperazinyl]-
HY-118382CS-00657932-(1-Acetyl-4-piperidinyl)-1-[(2S)-4-[bis(4-
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 43.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 741
물리화학적 성질
- 끓는 점
- 665 · 665.0±55.0 °C(Predicted)
- 밀도
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.25 · 5.25±0.70(Predicted)
화학 및 산업
공급사6 곳
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
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上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
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