4-fluoro-N-({5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzenesulfonamide
기본 정보
- CAS
338421-79-7- 표준 SMILES
Cn1c(CNS(=O)(=O)c2ccc(F)cc2)nnc1SCc1cccc(F)c1- InChIKey
GGIYPWKDQYVQBB-UHFFFAOYSA-N- 분자식
- C17H16F2N4O2S2
- 평균 분자량
- 410.5 g/mol
이름 및 식별자
- 우선 이름
- 4-fluoro-N-({5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzenesulfonamide
- IUPAC
- 4-fluoro-N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
- 영어명
- 4-Fluoro-N-((5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzenesulfonamide
- 분자식
- C17H16F2N4O2S2
- 분자량
- 410.46
이름 및 동의어
338421-79-74-fluoro-N-({5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)benzenesulfonamide4-fluoro-N-[(5-{[(3-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]benzene-1-sulfonamide4-fluoro-N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamideAKOS0050915004H-449S4-Fluoro-N-((5-((3-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzenesulfonamide4-Fluoro-N-((5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzenesulfonamideBenzenesulfonamide, 4-fluoro-N-[[5-[[(3-fluorophenyl)methyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
데이터베이스 식별자
- CAS
338421-79-7
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 570
물리화학적 성질
- 끓는 점
- 597.1 · 597.1±60.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.58 · 8.58±0.50(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…