(1S,2S)-2-[2-{[3-(1H-benzimidazol-2-yl)-propyl]methylamino}ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol

HCID 9830209

기본 정보

표준 SMILES
CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCN(C)CCCc1nc2ccccc2[nH]1
InChIKey
XTFWUNVBJAOKDW-UIOOFZCWSA-N
분자식
C26H34FN3O
평균 분자량
423.6 g/mol
단동위원소 질량
423.26859088

이름 및 식별자

우선 이름
(1S,2S)-2-[2-{[3-(1H-benzimidazol-2-yl)-propyl]methylamino}ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol
IUPAC
(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol

이름 및 동의어

CHEMBL3526662SCHEMBL7267019XTFWUNVBJAOKDW-UIOOFZCWSA-NBDBM50088498( 1S,2S)-2-[2-{[3-( 1H-benzimidazol-2-yl)propyl]methylamino}ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol(1S,2S)-2-[2-{[3-(1H-benzimidazol-2-yl)-propyl]methylamino}ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol(1S,2S)-2-[2-{[3-(1H-benzimidazol-2-yl)propyl]methylamino }ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol(1S,2S)-2-[2-{[3-(1H-benzimidazol-2-yl)propyl]methylamino}ethyl]-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-ol

데이터베이스 식별자

PubChem CID
9830209
ChEMBL
CHEMBL3526662
Nikkaji
J845.824C

물성

구조 계산 물성

XLogP
5.3
극성 표면적
52.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
8
무거운 원자 수
31

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