기본 정보
- CAS
309731-52-0- 표준 SMILES
NC(=O)c1c(NC(NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2- InChIKey
YTLILPFXMGWRJP-UHFFFAOYSA-N- 분자식
- C19H16ClF6N3O2S
- 평균 분자량
- 499.9 g/mol
이름 및 식별자
- 우선 이름
- 2-[[2-[(3-Chlorobenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-[[2-[(3-chlorobenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- 영어명
- 2-{[1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- 분자식
- C19H16ClF6N3O2S
- 분자량
- 499.86
이름 및 동의어
309731-52-02-[[2-[(3-chlorobenzoyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-{[1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideSCHEMBL742187STK762657AKOS001745563AG-389/13596010SR-01000529262SR-01000529262-12-((2-(3-chlorobenzamido)-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide2-([1-[(3-Chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide #2-({2-[(3-CHLOROPHENYL)FORMAMIDO]-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
이름 더 보기
Benzo[b]thiophene-3-carboxamide, 2-[[1-[(3-chlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydro-
2-[(2-{[(3-chlorophenyl)carbonyl]amino}-1,1,1,3,3,3-hexafluoropropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideBenzothiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[1-(3-chlorobenzoylamino)-2,2,2-trifluoro-1-trifluoromethylethylamino]-
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 708
물리화학적 성질
- 끓는 점
- 539.1 · 539.1±50.0 °C(Predicted)
- 밀도
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.43 · 9.43±0.46(Predicted)
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