기본 정보
- CAS
958951-22-9- 표준 SMILES
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccco1- InChIKey
JSWFGFAPUNNLAG-JWGURIENSA-N- 분자식
- C28H25N5O4S
- 평균 분자량
- 527.6 g/mol
- 단동위원소 질량
- 527.16272547
이름 및 식별자
- 우선 이름
- (Z)-2-Cyano-N-furan-2-ylmethyl-3-{1-phenyl-3-[3-(pyrrolidine-1-sulfonyl)-phenyl]-1H-pyrazol-4-yl}-acrylamide
- IUPAC
- (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
- 영어명
- (2Z)-2-cyano-N-(furan-2-ylmethyl)-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enamide
- 분자식
- C28H25N5O4S
- 분자량
- 527.59
이름 및 동의어
SMR000220219MLS000588125(Z)-2-Cyano-N-furan-2-ylmethyl-3-{1-phenyl-3-[3-(pyrrolidine-1-sulfonyl)-phenyl]-1H-pyrazol-4-yl}-acrylamideMLS003903583CHEMBL1499762BDBM95159cid_5968053HMS2540A13STK707305AKOS005182772(2Z)-2-cyano-N-(furan-2-ylmethyl)-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enamide(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
이름 더 보기
2-Propenamide, 2-cyano-N-(2-furanylmethyl)-3-[1-phenyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-1H-pyrazol-4-yl]-, (2Z)-
(Z)-2-cyano-N-(2-furanylmethyl)-3-[1-phenyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenamide(Z)-2-cyano-N-(2-furfuryl)-3-[1-phenyl-3-(3-pyrrolidinosulfonylphenyl)pyrazol-4-yl]acrylamide(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(1-phenyl-3-(3-(pyrrolidin-1-ylsulfonyl)phenyl)-1H-pyrazol-4-yl)acrylamide
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.25 · 11.25±0.46(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
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