기본 정보
- CAS
121346-32-5- 표준 SMILES
COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC- InChIKey
GCVFQRRBTCHIPK-UHFFFAOYSA-N- 분자식
- C32H40N2O5S
- 평균 분자량
- 564.7 g/mol
- 단동위원소 질량
- 564.26579355
이름 및 식별자
- 우선 이름
- N-(3,4-dimethoxyphenethyl)-3-(4-(3-isopropyl-1-methyl-1H-indol-2-ylsulfonyl)phenoxy)-N-methylpropan-1-amine
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amine
- 영어명
- 3,4-Dimethoxy-N-methyl-N-[3-[4-[[1-methyl-3-(1-methylethyl)-1H-indol-2-yl]sulfonyl]phenoxy]propyl]benzeneethanamine oxalate
- 분자식
- C32H40N2O5S
- 분자량
- 564.74
이름 및 동의어
121346-32-5N-(3,4-dimethoxyphenethyl)-3-(4-(3-isopropyl-1-methyl-1H-indol-2-ylsulfonyl)phenoxy)-N-methylpropan-1-amineSR33805 (analog)N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amineCHEMBL33620orb1738257SCHEMBL8960764SCHEMBL29766930DTXSID701026010SR-33805AMS-32873N-(3,4-dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine
이름 더 보기
SR 33805 OXALATEN-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methyN-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpr3,4-Dimethoxy-N-methyl-N-[3-[4-[[1-methyl-3-(1-methylethyl)-1H-indol-2-yl]sulfonyl]phenoxy]propyl]benzeneethanamineN-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine oxalate
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 856
물리화학적 성질
- 끓는 점
- 724.1 · 724.1±60.0 °C(Predicted)
- 밀도
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 저장 조건
- Store at RT
- 산도 계수 (pKa)
- 8.82 · 8.82±0.50(Predicted)
화학 및 산업
공급사10 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
上海双锕化学科技有限公司15010167677 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
R.R Scientific Co., Ltd.+86-13917743231 · [email protected]
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