3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano3-benzazepin-7-amine

HCID 21864716

기본 정보

표준 SMILES
Nc1ccc2c(c1)C1CC2CN(C(=O)C(F)(F)F)C1
InChIKey
LBIBXCMFBMASMP-UHFFFAOYSA-N
분자식
C13H13F3N2O
평균 분자량
270.25 g/mol

이름 및 식별자

우선 이름
3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano3-benzazepin-7-amine
IUPAC
1-(4-amino-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoroethanone

이름 및 동의어

3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano3-benzazepin-7-amineSCHEMBL3564889SCHEMBL29761239230615-56-21-(7-amino-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone1-(4-Amino-10-aza-tncyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-Amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7), 3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-Amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl) -2,2,2-trifluoro-ethanone1-(4-Amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoroethanone1-(4-amino-10-aza-tricyclo[6.3.1.02.7-]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone1-(4-amino-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
이름 더 보기
1-(4-Amino-10-aza-tricyclo[6.3.1.02.7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone1-(7-Amino-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one

데이터베이스 식별자

PubChem CID
21864716

물성

구조 계산 물성

XLogP
1.9
극성 표면적
46.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
19

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