기본 정보
- CAS
1235406-03-7- 표준 SMILES
O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F- InChIKey
ZAGGUCLXSCVDCK-UHFFFAOYSA-N- 분자식
- C19H10ClF4N5O3S2
- 평균 분자량
- 531.9 g/mol
이름 및 식별자
- 우선 이름
- Benzenesulfonamide, 5-chloro-2-fluoro-4-[2-(4-pyridazinyl)-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-yl-
- IUPAC
- 5-chloro-2-fluoro-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
- 영어명
- Benzenesulfonamide, 5-chloro-2-fluoro-4-[2-(4-pyridazinyl)-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-yl-
- 분자식
- C19H10ClF4N5O3S2
- 분자량
- 531.89
이름 및 동의어
1235406-03-7PF-05186462Benzenesulfonamide, 5-chloro-2-fluoro-4-[2-(4-pyridazinyl)-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-yl-5-Chloro-2-fluoro-4-(2-(pyridazin-4-yl)-4-(trifluoromethyl)phenoxy)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideCHEMBL23247765-Chloro-2-fluoro-4-[2-(4-pyridazinyl)-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide5-chloro-2-fluoro-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideEHH9XEV7DBC19H10ClF4N5O3S2orb1298693SCHEMBL1094900SCHEMBL30275377
이름 더 보기
PF-05186462, 10 mM in DMSOacute,Na channels,inhibit,chronic,voltage,channel,Na+ channels,Sodium Channel,PF05186462,Inhibitor,Nav1.7,pain,PF-05186462,PF 05186462,sodium
GLXC-24073EX-A4516BDBM50257175AKOS040759500TS-09872HY-122001CS-0078403T8711
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 793
실험 및 물리화학적 성질
LogP1.88
물리화학적 성질
- 끓는 점
- 649.9 · 649.9±65.0 °C(Predicted)
- 밀도
- 1.629 · 1.629±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사13 곳
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TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
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