(7RS,9aSR)-7-hydroxymethyl-2-(2-cyano4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

HCID 69432665

기본 정보

표준 SMILES
N#Cc1cc(F)ccc1N1CCN2CC(CO)CCC2C1
InChIKey
NNTRIDZTDXMVEW-UHFFFAOYSA-N
분자식
C16H20FN3O
평균 분자량
289.35 g/mol

이름 및 식별자

우선 이름
(7RS,9aSR)-7-hydroxymethyl-2-(2-cyano4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
IUPAC
5-fluoro-2-[7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]benzonitrile

이름 및 동의어

SCHEMBL5413742NNTRIDZTDXMVEW-UHFFFAOYSA-N(7RS,9aSR)-7 -hydroxymethyl-2-(2-cyano-4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2 -a]pyrazine(7RS,9aSR)-7-hydroxymethyl-2-(2-cyano-4 -fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine(7RS,9aSR)-7-hydroxymethyl-2-(2-cyano-4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine(7RS,9aSR)-7-hydroxymethyl-2-(2-cyano4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

데이터베이스 식별자

PubChem CID
69432665

물성

구조 계산 물성

XLogP
1.8
극성 표면적
50.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
21

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