기본 정보
- CAS
667913-26-0- 표준 SMILES
CCc1c(C#N)c(SCC(=O)Nc2nc(-c3ccccc3)ns2)nc2c1C(=O)CC(C)(C)C2- InChIKey
VZKRUJSTBCBYRE-UHFFFAOYSA-N- 분자식
- C24H23N5O2S2
- 평균 분자량
- 477.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
- IUPAC
- 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
- 영어명
- 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
- 분자식
- C24H23N5O2S2
- 분자량
- 477.60172
이름 및 동의어
667913-26-02-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamideF3394-13702-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide2-((3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamideAQ-750/41791721SMSSF-0028309AKOS001699801EU-00826862-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-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-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinolylthio)acetamide
데이터베이스 식별자
- CAS
667913-26-0
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 778
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