기본 정보
- CAS
167838-64-4- 표준 SMILES
CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cn1- InChIKey
XCKWRUGRUFVXGC-NTEUORMPSA-N- 분자식
- C30H27Cl2N5O4
- 평균 분자량
- 592.5 g/mol
- 단동위원소 질량
- 591.1440097
이름 및 식별자
- 우선 이름
- (E)-3-(6-acetamidopyridin-3-yl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide
- IUPAC
- (E)-3-(6-acetamido-3-pyridinyl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamide
이름 및 동의어
167838-64-4FK-3657FR173657FR-173657FR 173657262AL91J0Y(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]prop-2-enamideUNII-262AL91J0YCHEMBL130517FK 3657(E)-3-((6-Acetamido-3-pyridyl)-N-(N-(2,4-dichloro-3-((2-methyl-8-quinolinyl)oxymethyl)phenyl)-N-methyl)aminocarbonyl methyl)acrylamide3-[6-(Acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-(E)-2-propenamide
이름 더 보기
XCKWRUGRUFVXGC-NTEUORMPSA-N(2E)-3-(6-(ACETYLAMINO)-3-PYRIDINYL)-N-(2-((2,4-DICHLORO-3-(((2-METHYL-8-QUINOLINYL)OXY)METHYL)PHENYL)METHYLAMINO)-2-OXOETHYL)-2-PROPENAMIDE(2E)-3-[6-(Acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-2-propenamide2-PROPENAMIDE, 3-(6-(ACETYLAMINO)-3-PYRIDINYL)-N-(2-((2,4-DICHLORO-3-(((2-METHYL-8-QUINOLINYL)OXY)METHYL)PHENYL)METHYLAMINO)-2-OXOETHYL)-, (2E)-2-Propenamide, 3-[6-(acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-, (2E)-GTPL674orb1987176SCHEMBL3718364
데이터베이스 식별자
- CAS
167838-64-4- PubChem CID
- 5311108
- DTXSID
DTXSID401101144- ChEMBL
CHEMBL130517- UNII
- 262AL91J0Y
- Nikkaji
- J817.041J
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 939
관련 반응
2건
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