기본 정보
- CAS
1164459-59-9- 표준 SMILES
CCCCN(C)CC(O)Cn1cc(/C=C/C(=O)c2cccs2)c2ccccc21- InChIKey
SALBKFMJBBCCIC-VAWYXSNFSA-N- 분자식
- C23H28N2O2S
- 평균 분자량
- 396.5 g/mol
이름 및 식별자
- 우선 이름
- (2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-thien-2-ylprop-2-en-1-one
- IUPAC
- (E)-3-[1-[3-[butyl(methyl)amino]-2-hydroxypropyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
- 영어명
- 3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(2-thienyl)-2-propen-1-one
- 분자식
- C23H28N2O2S
- 분자량
- 396.55
이름 및 동의어
SMR000206578MLS000582592(2E)-3-(1-{3-[BUTYL(METHYL)AMINO]-2-HYDROXYPROPYL}-1H-INDOL-3-YL)-1-(THIOPHEN-2-YL)PROP-2-EN-1-ONE(2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-thien-2-ylprop-2-en-1-oneMLS003880589CHEMBL1538643BDBM83220cid_11835306HMS2517O12MFCD06589965AKOS001862378AKOS022046298
이름 더 보기
AE-848/42799017(E)-3-[1-[3-(BUTYL-METHYL-AMINO)-2-HYDROXY-PROPYL]-1H-INDOL-3-YL]-1-THIOPHEN-2-YL-PROPENONE(E)-3-[1-[3-[butyl(methyl)amino]-2-hydroxy-propyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one(E)-3-[1-[3-[butyl(methyl)amino]-2-hydroxypropyl]-3-indolyl]-1-thiophen-2-yl-2-propen-1-one(E)-3-[1-[3-[butyl(methyl)amino]-2-hydroxypropyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one(E)-3-[1-[3-[butyl(methyl)amino]-2-oxidanyl-propyl]indol-3-yl]-1-thiophen-2-yl-prop-2-en-1-one3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(2-thienyl)-2-propen-1-one
데이터베이스 식별자
- CAS
1164459-59-9- ChEMBL
CHEMBL1538643
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 73.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 527
물리화학적 성질
- 끓는 점
- 387.271 · 387.271±34.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.146 · 1.146±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.371 · 14.371±0.20(predicted)
화학 및 산업
공급사2 곳
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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