(4-Fluorophenyl)(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)acetic acid

HCID 44573338
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(C(=O)O)c2ccc(F)cc2)CC1
InChIKey
HTVPBKMQDVVVRD-RNUQGJNHSA-N
분자식
C36H40F2N4O2
평균 분자량
598.7 g/mol

이름 및 식별자

우선 이름
(4-Fluorophenyl)(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)acetic acid
IUPAC
2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]acetic acid

이름 및 동의어

CHEMBL505443SCHEMBL3525724HTVPBKMQDVVVRD-RNUQGJNHSA-NBDBM50257731(4-Fluorophenyl)(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)acetic acid2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)piperidin-1-yl)acetic acid2-(4-fluorophenyl)-2-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-[(1S)-2-methylbenzimidazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-1-piperidyl]acetic acid

데이터베이스 식별자

PubChem CID
44573338
ChEMBL
CHEMBL505443

물성

구조 계산 물성

XLogP
4.8
극성 표면적
61.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
44

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…

(4-Fluorophenyl)(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)acetic acid (HCID 44573338)｜Huagongshe