(R)-2-(8-Fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetic acid
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기본 정보
- CAS
917389-37-8- 표준 SMILES
COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1- InChIKey
FWYSMLBETOMXAG-HSZRJFAPSA-N- 분자식
- C29H28F4N4O4
- 평균 분자량
- 572.5 g/mol
- 단동위원소 질량
- 572.20466804
이름 및 식별자
- 우선 이름
- (R)-2-(8-Fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetic acid
- IUPAC
- 2-[(4R)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid
- 영어명
- LeterMovir-013
- 분자식
- C29H28F4N4O4
- 분자량
- 572.55
이름 및 동의어
917389-37-8ent-Letermovir(R)-2-(8-Fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetic acid(R)-{8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(2-methoxy-5-trifluoromethylphenyl)-3,4-dihydroquinazolin-4-yl}acetic acid4KUF2YL56TSCHEMBL4531731SCHEMBL31638115SCHEMBL39165860H84474(4R)-8-Fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetic acid(R)-{8-Fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(2-methoxy-5-trifluoromethyl-phenyl)-3,4-dihydroquinazolin-4-yl}acetic acid4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, (4R)-
이름 더 보기
-trimethyl-(R)-LetermovirLeterMovir-013Urea,N-ethyl-N,N'R-Letermovir ImpurityLeterMovir Impurity 14Lettermovir impurity BLamivudine Standard Substance 013
물성
구조 계산 물성보충 중
- XLogP
- 4.6
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 931
물리화학적 성질
- 끓는 점
- 706.5 · 706.5±70.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4 · 4.00±0.10(Predicted)
관련 반응
6건
화합물 노트
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