Acetic acid 1,1-dimethyl-2-{3-[9-methyl-2-(2-methylbenzoimidazol-1-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidin-1-yl}-2-oxoethyl ester

HCID 59606028

기본 정보

표준 SMILES
CC(=O)OC(C)(C)C(=O)N1CC(Cc2nc3c(N4CCOCC4)nc(-n4c(C)nc5ccccc54)nc3n2C)C1
InChIKey
BACMRNXTXVAOGB-UHFFFAOYSA-N
분자식
C28H34N8O4
평균 분자량
546.6 g/mol

이름 및 식별자

우선 이름
Acetic acid 1,1-dimethyl-2-{3-[9-methyl-2-(2-methylbenzoimidazol-1-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidin-1-yl}-2-oxoethyl ester
IUPAC
[2-methyl-1-[3-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-1-yl]-1-oxopropan-2-yl] acetate

이름 및 동의어

SCHEMBL2673732BACMRNXTXVAOGB-UHFFFAOYSA-NAcetic acid 1,1-dimethyl-2-{3-[9-methyl-2-(2-methylbenzoimidazol-1-yl)-6-morpholin-4-yl-9H-purin-8-ylmethyl]azetidin-1-yl}-2-oxoethyl ester

데이터베이스 식별자

PubChem CID
59606028

물성

구조 계산 물성

XLogP
2.4
극성 표면적
121 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
40

관련 반응

8건

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