기본 정보
- CAS
670272-80-7- 표준 SMILES
CC1(C)CC(=O)c2c(nc(SCC(=O)Nc3nc(-c4ccccc4)ns3)c(C#N)c2-c2ccccc2)C1- InChIKey
IKDDFOAVYRPQTF-UHFFFAOYSA-N- 분자식
- C28H23N5O2S2
- 평균 분자량
- 525.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
- IUPAC
- 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
- 영어명
- 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
- 분자식
- C28H23N5O2S2
- 분자량
- 525.64452
이름 및 동의어
670272-80-72-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamideF3394-02782-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide2-((3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamideSMSSF-0027422AKOS000812111AQ-750/41791661Z2750226122-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamideN-(3-phenyl-1,2,4-thiadiazol-5-yl)(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-2-quinolylthio)acetamide
데이터베이스 식별자
- CAS
670272-80-7
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 879
화학 및 산업
공급사1 곳
SPECS[email protected]
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