tert-butyl2-((4R,6R)-6-(2-(2-(4-플루오로페닐)-4-(4-히드록시페닐카르바모일)-5-이소프로필-3-페닐-1H-피롤-1-일)에틸)-2,2-디메틸-1,3-디옥산-4-일)아세테이트
(6-{2-[2-(4-Fluoro-phenyl)-4-(4-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B
기본 정보
- CAS
265989-36-4- 표준 SMILES
CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1- InChIKey
AQMFQOCFGPMVGX-ROJLCIKYSA-N- 분자식
- C40H47FN2O6
- 평균 분자량
- 670.8 g/mol
- 단동위원소 질량
- 670.34181539
이름 및 식별자
- 우선 이름
- (6-{2-[2-(4-Fluoro-phenyl)-4-(4-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B
- IUPAC
- tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
- 현지명
- tert-butyl2-((4R,6R)-6-(2-(2-(4-플루오로페닐)-4-(4-히드록시페닐카르바모일)-5-이소프로필-3-페닐-1H-피롤-1-일)에틸)-2,2-디메틸-1,3-디옥산-4-일)아세테이트
- 영어명
- tert-butyl 2-((4R,6R)-6-(2-(2-(4- fluorophenyl)-4-(4- hydroxyphenylcarbamoyl)-5-isopropyl-3- phenyl-1H-pyrrol-1-yl)ethyl)-2,2- dimethyl-1,3-dioxan-4-yl)acetate
- 분자식
- C40H47FN2O6
- 분자량
- 670.81
이름 및 동의어
265989-36-4(6-{2-[2-(4-Fluoro-phenyl)-4-(4-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B4-Hydroxy Atorvastatin Acetonide tert-Butyl EsterTert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-tert-Butyl 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-4-((4-hydroxyphenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetatetert-butyl 2-[(4R,6R)-6-{2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetateSCHEMBL7683385DTXSID90441948AKOS015901512
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 99 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,070
물리화학적 성질
- 끓는 점
- 707.8 · 707.8±60.0 °C(Predicted)
- 밀도
- 1.18 · 1.18
- 용해도
- 에 용해됨아세톤, 클로로포름, 디클로로메탄, 에틸아세테이트
- 산도 계수 (pKa)
- 10 · 10.00±0.26(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
White Solid
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