[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)ethyl]2-hydroxy-3-[(2-hydroxyanilino)-methyl]benzoate
기본 정보
- 표준 SMILES
O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1cccc(CNc2ccccc2O)c1O- InChIKey
BTMRHDRKNPGXHO-NDEPHWFRSA-N- 분자식
- C32H28Cl2F2N2O7
- 평균 분자량
- 661.5 g/mol
이름 및 식별자
- 우선 이름
- [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)ethyl]2-hydroxy-3-[(2-hydroxyanilino)-methyl]benzoate
- IUPAC
- [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 2-hydroxy-3-[(2-hydroxyanilino)methyl]benzoate
이름 및 동의어
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)ethyl]2-hydroxy-3-[(2-hydroxyanilino)-methyl]benzoateSCHEMBL19856601[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)ethyl]2-hydroxy-3-[(2-hydroxyanilino)methyl]benzoate
데이터베이스 식별자
- PubChem CID
- 86720718
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 928
관련 반응
2건
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