기본 정보
- CAS
1164529-74-1- 표준 SMILES
COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1- InChIKey
WYMDXXSMQXLDSI-FOCLMDBBSA-N- 분자식
- C17H16Cl2N2O4S
- 평균 분자량
- 415.3 g/mol
이름 및 식별자
- 우선 이름
- 2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylbenzyl)sulfonyl]acrylamide
- IUPAC
- (Z)-2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)methylsulfonyl]prop-2-enamide
- 영어명
- 2,3-Dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylbenzyl)sulfonyl]acrylamide
- 분자식
- C17H16Cl2N2O4S
- 분자량
- 415.29
이름 및 동의어
MLS0005403061164529-74-12,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylbenzyl)sulfonyl]acrylamide(2Z)-2,3-dichloro-N-(6-methoxypyridin-3-yl)-3-[(4-methylphenyl)methanesulfonyl]prop-2-enamide(Z)-2,3-dichloro-N-(6-methoxypyridin-3-yl)-3-[(4-methylphenyl)methylsulfonyl]prop-2-enamideSMR000125564CHEMBL1309232BDBM41589cid_1475337HMS2309P15AKOS00507508310K-368S
이름 더 보기
2-Propenamide, 2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[[(4-methylphenyl)methyl]sulfonyl]-, (2Z)-
MLS-0079900.0001SR-01000667926SR-01000667926-2(Z)-2,3-dichloro-N-(6-methoxy-3-pyridyl)-3-(4-methylbenzyl)sulfonyl-acrylamide(Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3-[(4-methylphenyl)methylsulfonyl]prop-2-enamide(Z)-2,3-dichloro-N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)methylsulfonyl]-2-propenamide
데이터베이스 식별자
- CAS
1164529-74-1- ChEMBL
CHEMBL1309232
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 93.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 625
물리화학적 성질
- 끓는 점
- 619.622 · 619.622±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.448 · 1.448±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 7.956 · 7.956±0.70(predicted)
화학 및 산업
공급사4 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
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