기본 정보
- CAS
691856-35-6- 표준 SMILES
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c(C3CC3)cc12- InChIKey
NFEQVLKWQSHXJM-UHFFFAOYSA-N- 분자식
- C20H19FN2O4S
- 평균 분자량
- 402.4 g/mol
- 단동위원소 질량
- 402.10495643
이름 및 식별자
- 우선 이름
- 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonamido)benzofuran-3-carboxamide
- IUPAC
- 5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
- 영어명
- 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonamido)benzofuran-3-carboxamide
- 분자식
- C20H19FN2O4S
- 분자량
- 402.44
이름 및 동의어
691856-35-65-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonamido)benzofuran-3-carboxamide5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide5-cyclopropyl-2-(4-fluorophenyl)-6-methanesulfonamido-N-methyl-1-benzofuran-3-carboxamide5-Cyclopropyl-2-(4-fluoro-phenyl)-6-methanesulfonylamino-benzofuran-3-carboxylic acid methylamideSCHEMBL2298808NFEQVLKWQSHXJM-UHFFFAOYSA-NAKOS030528108SB18231DS-0015035-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-benzofuran-3-carboxamide5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
이름 더 보기
3-Benzofurancarboxamide, 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-CYCLOPROPYL-2-(4-FLUOROPHENYL)-N-METHYL-6-(METHYLSULFONAMIDO)BENZOFURAN-3-CARBOXAMIDE(WXG02820)
데이터베이스 식별자
- CAS
691856-35-6- PubChem CID
- 16073512
- Nikkaji
- J3.467.979G
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 96.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 685
물리화학적 성질
- 밀도
- 1.413 · 1.413±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.84 · 7.84±0.30(Predicted)
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