기본 정보
- CAS
445015-03-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2sc3nc(C(F)(F)F)cc(-c4ccc(F)cc4)c3c2N)sc2c1CCCCC2- InChIKey
BGNLWBBWFSJWKB-UHFFFAOYSA-N- 분자식
- C27H23F4N3O3S2
- 평균 분자량
- 577.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 분자식
- C27H23F4N3O3S2
- 분자량
- 577.6134328
이름 및 동의어
ethyl 2-({[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAK-968/40725881STL174407AKOS005369254ethyl 2-[[3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate445015-03-2ethyl 2-(3-amino-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
445015-03-2
물성
구조 계산 물성
- XLogP
- 8.4
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 891
화학 및 산업
공급사1 곳
SPECS[email protected]
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