(R)-2,3,5,6-tetrafluoro-4-(4-((3-(1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)ureido)methyl)-1H-1,2,3-triazol-1-yl)benzoic acid
기본 정보
- 표준 SMILES
O=C(NCc1cn(-c2c(F)c(F)c(C(=O)O)c(F)c2F)nn1)N[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1- InChIKey
KDKFDVMADCGEOX-JGCGQSQUSA-N- 분자식
- C33H21F10N5O4
- 평균 분자량
- 741.5 g/mol
이름 및 식별자
- 우선 이름
- (R)-2,3,5,6-tetrafluoro-4-(4-((3-(1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)ureido)methyl)-1H-1,2,3-triazol-1-yl)benzoic acid
- IUPAC
- 2,3,5,6-tetrafluoro-4-[4-[[[(1R)-1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]methyl]triazol-1-yl]benzoic acid
이름 및 동의어
(R)-2,3,5,6-tetrafluoro-4-(4-((3-(1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)ureido)methyl)-1H-1,2,3-triazol-1-yl)benzoic acidSCHEMBL757974(R) -2,3,5,6-tetrafluoro-4-(4-((3-(1-(3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)-1-(4-fluorophenyl)-2-phenylethyl)ureido)methyl)-1H-1,2,3-triazol-1-yl)benzoic acid
데이터베이스 식별자
- PubChem CID
- 59458636
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,190
관련 반응
3건
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