2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid
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기본 정보
- CAS
488827-01-6- 표준 SMILES
N#Cc1c(C(F)(F)F)cc(C23CC4CC(CC(C4)C2)C3)nc1SC(C(=O)O)c1ccccc1- InChIKey
FMQQBADJKRDHJR-UHFFFAOYSA-N- 분자식
- C25H23F3N2O2S
- 평균 분자량
- 472.5 g/mol
- 단동위원소 질량
- 472.14323364
이름 및 식별자
- 우선 이름
- 2-{[6-(1-Adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid
- IUPAC
- 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
- 영어명
- 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid
- 분자식
- C25H23F3N2O2S
- 분자량
- 472.5225296
이름 및 동의어
488827-01-62-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenylacetic acid2-((6-(Adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)-2-phenylacetic acid2-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-phenylacetic acid{[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}(phenyl)acetic acidAM-807/14145006C25H23F3N2O2SSTL334324AKOS003598954AKOS016340318SS-0470
이름 더 보기
CS-03320212-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-2-phenyl-acetic acid2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)-2-phenylacetic acid2-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-phenylaceticacid
데이터베이스 식별자
- CAS
488827-01-6- PubChem CID
- 3752700
물성
구조 계산 물성보충 중
- XLogP
- 6.5
- 극성 표면적
- 99.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 762
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