기본 정보
- CAS
667898-83-1- 표준 SMILES
Cc1ccc2nc(Cl)c(C3CC(c4cccs4)=NN3S(C)(=O)=O)cc2c1- InChIKey
ZGHGMHHPKWMZLU-UHFFFAOYSA-N- 분자식
- C18H16ClN3O2S2
- 평균 분자량
- 405.9 g/mol
- 단동위원소 질량
- 405.0372468
이름 및 식별자
- 우선 이름
- 2-Chloro-6-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline
- IUPAC
- 2-chloro-6-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline
- 영어명
- 2-chloro-6-methyl-3-[1-(methylsulfonyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
- 분자식
- C18H16ClN3O2S2
- 분자량
- 405.92
이름 및 동의어
667898-83-12-chloro-6-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline2-chloro-6-methyl-3-[1-(methylsulfonyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline2-chloro-6-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline2-chloro-6-methyl-3-[1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]quinolineSMR000218868MLS000591294CHEMBL1509708HMS2601M19STK553119AKOS005480031AP-845/42065357
이름 더 보기
Quinoline, 2-chloro-3-[4,5-dihydro-1-(methylsulfonyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-6-methyl-
2-Chloro-3-(2-methanesulfonyl-5-thiophen-2-yl-3,4-dihydro-2H-pyrazol-3-yl)-6-methyl-quinoline
데이터베이스 식별자
- CAS
667898-83-1
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 99.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 666
화학 및 산업
공급사4 곳
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