기본 정보
- CAS
100341-45-5- 표준 SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(S(=O)C(F)(F)C(F)F)cc1Cl- InChIKey
MNIKTEFCEWLGCQ-UHFFFAOYSA-N- 분자식
- C16H8Cl2F6N2O3S
- 평균 분자량
- 493.2 g/mol
- 단동위원소 질량
- 491.9536877
이름 및 식별자
- 우선 이름
- N-((2,5-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)-2,6-difluorobenzamide
- IUPAC
- N-[[2,5-dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]-2,6-difluorobenzamide
이름 및 동의어
100341-45-5N-((2,5-Dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)-2,6-difluorobenzamideN-((2,5-Dichloro-4-((1,1,2,2-tetrafluoroethyl)sulfinyl)phenyl)carbamoyl)-2,6-difluorobenzamideN-[[2,5-dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]-2,6-difluorobenzamideBenzamide, N-[[[2,5-dichloro-4-[(1,1,2,2-tetrafluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-Benzamide,N-[[[2,5-dichloro-4-[(1,1,2,2-tetrafluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-CHEMBL2287854SCHEMBL10505787DTXSID40905404Benzamide, N-(((2,5-dichloro-4-((1,1,2,2- tetrafluoroethyl)sulfinyl)phenyl)amino)carbonyl)-2,6-difluoro-N-(2,6-difluorobenzoyl)-N'-[2,5-dichloro-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]ureaN-{[2,5-Dichloro-4-(1,1,2,2-tetrafluoroethanesulfinyl)phenyl]carbamoyl}-2,6-difluorobenzene-1-carboximidic acid
데이터베이스 식별자
- CAS
100341-45-5- PubChem CID
- 180845
- DTXSID
DTXSID40905404- ChEMBL
CHEMBL2287854- Nikkaji
- J467.999G
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 94.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 667
관련 반응
2건
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