(9-{4-[3-(4-formyl-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-methylcarbamic acid tert-butyl ester

HCID 59725906

기본 정보

표준 SMILES
CN(C(=O)OC(C)(C)C)c1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(C=O)c(C(F)(F)F)c2)cc1
InChIKey
HJUNQTSBKRVDTO-UHFFFAOYSA-N
분자식
C26H24F3N7O4
평균 분자량
555.5 g/mol

이름 및 식별자

우선 이름
(9-{4-[3-(4-formyl-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-methylcarbamic acid tert-butyl ester
IUPAC
tert-butyl N-[9-[4-[[4-formyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]-N-methylcarbamate

이름 및 동의어

(9-{4-[3-(4-formyl-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-methylcarbamic acid tert-butyl esterSCHEMBL5105956(9-{4-[3-(4-formyl-3-(trifluoromethyl)phenyl)-ureido]phenyl}-9H-purin-6-yl)-methyl-carbamic acid tert-butyl ester(9-{4-[3-(4-formyl-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-methyl-carbamic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
59725906

물성

구조 계산 물성

XLogP
3.7
극성 표면적
131 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
7
무거운 원자 수
40

관련 반응

5건

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