기본 정보
- CAS
488717-01-7- 표준 SMILES
CCOC(=O)c1ccc2nc(NC(NC(=O)CCc3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1- InChIKey
RQFMUWTVWDTHCO-UHFFFAOYSA-N- 분자식
- C22H19F6N3O3S
- 평균 분자량
- 519.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
- IUPAC
- ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
- 영어명
- ethyl 2-{[2,2,2-trifluoro-1-[(3-phenylpropanoyl)amino]-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate
- 분자식
- C22H19F6N3O3S
- 분자량
- 519.46
이름 및 동의어
488717-01-7ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylateSTK771416AKOS005614639AG-389/40959612ethyl 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)benzo[d]thiazole-6-carboxylateethyl 2-({1,1,1,3,3,3-hexafluoro-2-[(3-phenylpropanoyl)amino]propan-2-yl}amino)-1,3-benzothiazole-6-carboxylateethyl 2-{[2,2,2-trifluoro-1-[(3-phenylpropanoyl)amino]-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate6-Benzothiazolecarboxylic acid, 2-[[2,2,2-trifluoro-1-[(1-oxo-3-phenylpropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, ethyl ester
데이터베이스 식별자
- CAS
488717-01-7
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 731
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…