Afacifenacin
기본 정보
- CAS
877606-63-8- 표준 SMILES
O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1- InChIKey
IJUMFEAYOMCXAQ-VWLOTQADSA-N- 분자식
- C27H26F3N3O2
- 평균 분자량
- 481.5 g/mol
- 단동위원소 질량
- 481.19771157
개요
Afacifenacin is a small molecule drug. The usage of the INN stem '-fenacin' in the name indicates that Afacifenacin is a muscarinic receptor antagonist. Afacifenacin has a monoisotopic molecular weight of 481.2 Da.
이름 및 식별자
- 우선 이름
- Afacifenacin
- IUPAC
- (4S)-4-phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
- 영어명
- (4S)-3,4-Dihydro-4-phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]-4-piperidinyl]-2(1H)-quinazolinone
- 분자식
- C27H26F3N3O2
- 분자량
- 481.51
이름 및 동의어
Afacifenacin877606-63-8Afacifenacin [INN]UNII-XQU62QZ74PXQU62QZ74PDTXSID10236616NS-986(4S)-4-P(2Ehenyl-3-(1-((3-(trifluoromethoxy)phenyl)methyl)piperidin-4-yl)-3,4-dihydroquinazolin-2(1h)-oneafacifenacinaafacifenacine(4S)-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)PIPERIDIN-4-YL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE2(1H)-QUINAZOLINONE, 3,4-DIHYDRO-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)-4-PIPERIDINYL)-, (4S)-
이름 더 보기
NS986NS 986SMP986SMP 9862(1H)-Quinazolinone, 3,4-dihydro-4-phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]-4-piperidinyl]-, (4S)-
afacifenacinum(4S)-4-Phenyl-3-(1-{[3-(trifluoromethoxy)phenyl]methyl}piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-oneRefChem:109994DTXCID40159107Afacifenacin fumarate(4S)-3,4-DIHYDRO-4-PHENYL-3-[1-[[3-(TRIFLUOROMETHOXY)PHENYL]METHYL]-4-PIPERIDINYL]-2(1H)-QUINAZOLINONE(4S)-4-phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-oneSMP-986
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 706
물리화학적 성질
- 끓는 점
- 579.1 · 579.1±50.0 °C(Predicted)
- 밀도
- 1.287 · 1.287
- 산도 계수 (pKa)
- 14.46 · 14.46±0.40(Predicted)
관련 반응
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