(3S)-tert-butyl 4-((1R)-1-(6-fluoro-5-(2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-3-yl)ethyl)-3-methylpiperazine-1-carboxylate

HCID 68511317

기본 정보

표준 SMILES
Cc1nc(-c2cc([C@@H](C)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)cnc2F)c2ncn(C3CCCCO3)c2n1
InChIKey
RBTAETJOTPUPGD-WQFBUZOZSA-N
분자식
C28H38FN7O3
평균 분자량
539.6 g/mol

이름 및 식별자

우선 이름
(3S)-tert-butyl 4-((1R)-1-(6-fluoro-5-(2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-3-yl)ethyl)-3-methylpiperazine-1-carboxylate
IUPAC
tert-butyl (3S)-4-[(1R)-1-[6-fluoro-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate

이름 및 동의어

SCHEMBL3099270RBTAETJOTPUPGD-WQFBUZOZSA-N(3S)-tert-butyl 4-((1R)-1-(6-fluoro-5-(2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-3-yl)ethyl)-3-methylpiperazine-1-carboxylate

데이터베이스 식별자

PubChem CID
68511317

물성

구조 계산 물성

XLogP
3.6
극성 표면적
98.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
39

관련 반응

4건

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