(S)alpha-cyano-3-phenoxy-4-fluoro-benzyl(1R,cis,Z)2,2-dimethyl-3-[3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylate
기본 정보
- 표준 SMILES
CC1(C)[C@H](C(=O)O[C@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@@H]1/C=C\C(=O)O- InChIKey
KKOYUGXCFVVGQZ-PJNYLQPCSA-N- 분자식
- C23H20FNO5
- 평균 분자량
- 409.4 g/mol
- 단동위원소 질량
- 409.1325509
이름 및 식별자
- 우선 이름
- (S)alpha-cyano-3-phenoxy-4-fluoro-benzyl(1R,cis,Z)2,2-dimethyl-3-[3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylate
- IUPAC
- (Z)-3-[(1S,3R)-3-[(S)-cyano-(4-fluoro-3-phenoxyphenyl)methoxy]carbonyl-2,2-dimethylcyclopropyl]prop-2-enoic acid
이름 및 동의어
KKOYUGXCFVVGQZ-PJNYLQPCSA-N(S)alpha -cyano-3-phenoxy-4-fluoro-benzyl(1-R,cis,Z)2,2-dimethyl-3-[3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylate(S)alpha-cyano-3-phenoxy-4-fluoro-benzyl (1R,cis,Z) 2,2-dimethyl-3-[3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylate(S)alpha-cyano-3-phenoxy-4-fluoro-benzyl(1R,cis,Z)2,2-dimethyl-3-[3-oxo-3-hydroxy-1-propenyl]-cyclopropane-carboxylate
데이터베이스 식별자
- PubChem CID
- 86740328
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 96.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 720
관련 반응
7건
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