8-{(2E)-2-[1-(2-bromoethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-6-hydroxy-3-methyl-7-(1-phenylethyl)-3,7-dihydro-2H-purin-2-one
기본 정보
- CAS
305863-08-5- 표준 SMILES
CC(c1ccccc1)n1c(N=Nc2c(O)n(CCBr)c3ccccc23)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
JQTHMPWZFPDSIK-UHFFFAOYSA-N- 분자식
- C24H22BrN7O3
- 평균 분자량
- 536.4 g/mol
- 단동위원소 질량
- 535.09675
이름 및 식별자
- 우선 이름
- 8-{(2E)-2-[1-(2-bromoethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-6-hydroxy-3-methyl-7-(1-phenylethyl)-3,7-dihydro-2H-purin-2-one
- IUPAC
- 8-[[1-(2-bromoethyl)-2-hydroxyindol-3-yl]diazenyl]-3-methyl-7-(1-phenylethyl)purine-2,6-dione
이름 및 동의어
(E)-8-(2-(1-(2-bromoethyl)-2-oxoindolin-3-ylidene)hydrazinyl)-3-methyl-7-(1-phenylethyl)-1H-purine-2,6(3H,7H)-dione305863-08-5DTXSID001102752MFCD18164426STK646975AKOS005577959AKOS030506085ZINC000097968823ZINC000097968824BrCCN1c2ccccc2C(=NNc2nc3c(n2C(c2ccccc2)C)c(O)nc(=O)n3C)C1=O8((2E)2(1(2bromoethyl)2oxoindol3ylidene)hydrazinyl)3methyl7(1phenylethyl)purine26dioneCC(C1=CC=CC=C1)N2C3=C(N=C2NN=C4C5=CC=CC=C5N(C4=O)CCBr)N(C(=O)NC3=O)C
이름 더 보기
8((2E)2(1(2bromoethyl)2oxo12dihydro3Hindol3ylidene)hydrazinyl)6hydroxy3methyl7(1phenylethyl)37dihydro2Hpurin2one8-[2-[1-(2-Bromoethyl)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazinyl]-3,7-dihydro-3-methyl-7-(1-phenylethyl)-1H-purine-2,6-dione
데이터베이스 식별자
- CAS
305863-08-5- PubChem CID
- 3767139
- DTXSID
DTXSID001102752
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 825
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