기본 정보
- 표준 SMILES
Cc1ccc(S(=O)(=O)n2c(C)nc3c(OC4CCOc5cc(F)cc(F)c54)cc(C(=O)N(C)C)cc32)cc1- InChIKey
DWDFAQSNXAMYMY-UHFFFAOYSA-N- 분자식
- C27H25F2N3O5S
- 평균 분자량
- 541.6 g/mol
이름 및 식별자
- 우선 이름
- (5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy-N,N,2-trimethyl-1-[(4-methylphenyl)-sulfonyl]-1H-benzi midazole-6-carboxamide
- IUPAC
- 7-[(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy]-N,N,2-trimethyl-3-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
이름 및 동의어
SCHEMBL3267778SCHEMBL30524324DWDFAQSNXAMYMY-UHFFFAOYSA-N1H-Benzimidazole-6-carboxamide, 4-[[(4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy-N,N,2-trimethyl-1-[(4-methylphenyl)-sulfonyl]-1H-benzi midazole-6-carboxamide4-[(5,7-difluoro-3,4-dihydro-2H-chromen-4-yl)oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)-sulfonyl]-1H-benzi midazole-6-carboxamide4-[(5,7-Difluoro-3,4-dihydro-2H-chromen-4-yl)oxy]-N,N,2-trimethyl-1-[(4-methylphenyl)sulfo nyl]-1H-benzimidazole-6-carboxamide
데이터베이스 식별자
- PubChem CID
- 68574644
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 957
관련 반응
5건
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