5-Cyclopropyl-2-(4-fluorophenyl)-6-((methylsulfonyl)amino)-3-benzofurancarboxylic acid
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
691857-54-2- 표준 SMILES
CS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)O)c2cc1C1CC1- InChIKey
JFVKDAWQJYGJPJ-UHFFFAOYSA-N- 분자식
- C19H16FNO5S
- 평균 분자량
- 389.4 g/mol
- 단동위원소 질량
- 389.07332183
이름 및 식별자
- 우선 이름
- 5-Cyclopropyl-2-(4-fluorophenyl)-6-((methylsulfonyl)amino)-3-benzofurancarboxylic acid
- IUPAC
- 5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-carboxylic acid
- 영어명
- 3-Benzofurancarboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(Methylsulfonyl)aMino]-
- 분자식
- C19H16FNO5S
- 분자량
- 389.4
이름 및 동의어
691857-54-25-Cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-3-benzofurancarboxylic acid5-Cyclopropyl-2-(4-fluorophenyl)-6-((methylsulfonyl)amino)-3-benzofurancarboxylic acidRefChem:3027545-cyclopropyl-2-(4-fluorophenyl)-6-(methylsulfonamido)benzofuran-3-carboxylic acid3-Benzofurancarboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-carboxylic acidSCHEMBL2295568JFVKDAWQJYGJPJ-UHFFFAOYSA-NDTXSID801125819CS-M1527SB18230
이름 더 보기
3-BENZOFURANCARBOXYLIC ACID, 5-CYCLOPROPYL-2-(4-FLUOROPHENYL)-6-[(METHYLSULFONYL)AMINO]-(WXG02819)
5-CYCLOPROPYL-2-(4-FLUOROPHENYL)-6-METHANESULFONAMIDO-1-BENZOFURAN-3-CARBOXYLIC ACIDDB-3984693-benzo[b]furancarboxylic acid,5-cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)benzofuran-3-carboxylic acid5-cyclopropyl-2-(4-fluorophenyl)-6-(methylsulfonamido)benzofuran-3-carboxylicacid5-Cyclopropyl-2-(4-fluorophenyl)-6-[(methanesulfonyl)amino]-1-benzofuran-3-carboxylic acid5-cyclopropyl-2-(4-fluorophenyl)-6-[(methylsulfonyl)amino]-1-benzofuran-3-carboxylic acid
데이터베이스 식별자
- CAS
691857-54-2- PubChem CID
- 67352990
- DTXSID
DTXSID801125819
물성
구조 계산 물성보충 중
- XLogP
- 3.5
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 668
물리화학적 성질
- 끓는 점
- 557.3 · 557.3±60.0 °C(Predicted)
- 밀도
- 1.516 · 1.516±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.03 · 3.03±0.30(Predicted)
관련 반응
3건
화합물 노트
불러오는 중…