기본 정보
- CAS
663938-44-1- 표준 SMILES
O=C(NC(=S)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)c1ccc(Cl)cc1- InChIKey
WLNHZGUFSYARDD-UHFFFAOYSA-N- 분자식
- C25H22ClFN4O4S
- 평균 분자량
- 529 g/mol
이름 및 식별자
- 우선 이름
- 7-[4-[(4-Chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 7-[4-[(4-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
- 영어명
- 3-Quinolinecarboxylic acid, 7-[4-[[(4-chlorobenzoyl)aMino]thioxoMethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
- 분자식
- C25H22ClFN4O4S
- 분자량
- 528.98
이름 및 동의어
SCHEMBL6720827STK769923AKOS0017367837-(4-((4-chlorobenzoyl)carbamothioyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(4-{[(4-chlorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(4-{[(4-CHLOROPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID7-[4-[(4-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acidReaxys ID: 190606233-Quinolinecarboxylic acid, 7-[4-[[(4-chlorobenzoyl)aMino]thioxoMethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
데이터베이스 식별자
- CAS
663938-44-1
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 946
화학 및 산업
공급사1 곳
Interbioscreen Ltd.[email protected]
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