기본 정보
- 표준 SMILES
COc1c(N2CCC(=C(Cl)CN(C)Cc3ccccc3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.O=C(O)C(F)(F)F- InChIKey
MTSFJKUGLSLHBN-UHFFFAOYSA-N- 분자식
- C31H32ClF4N3O6
- 평균 분자량
- 654 g/mol
이름 및 식별자
- 우선 이름
- 7-[4-[2-(n-Benzyl-n-methylamino)-1-chloroethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid trifluoroacetic acid salt
- IUPAC
- 7-[4-[2-[benzyl(methyl)amino]-1-chloroethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;2,2,2-trifluoroacetic acid
이름 및 동의어
7-[4-[2-(n-benzyl-n-methylamino)-1-chloroethylidene]piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid trifluoroacetic acid salt7-{4-[2-(n-benzyl-n-methylamino)-1-chloroethylidene]piperidin-1-yl}-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid trifluoroacetic acid saltSCHEMBL35573157-{4-[2-(Benzyl-methyl-amino)-1-chloro-ethylidene]- piperidin-1-yl}-1-cyclopropyl-6-fluoro-8-methoxy-4- oxo-1,4-dihydro-quinoline-3-carboxylic acid trifluoroacetic acid salt
데이터베이스 식별자
- PubChem CID
- 68689766
물성
구조 계산 물성
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
3건
화합물 노트
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