2-((3-Chloropyrazin-2-yl)(2-phenylquinolin-7-yl)methyl)isoindoline-1,3-dione

HCID 53629013

기본 정보

CAS
867162-39-8
표준 SMILES
O=C1c2ccccc2C(=O)N1C(c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl
InChIKey
NJURFYFVLMVDIE-UHFFFAOYSA-N
분자식
C28H17ClN4O2
평균 분자량
476.9 g/mol
단동위원소 질량
476.1040035

이름 및 식별자

우선 이름
2-((3-Chloropyrazin-2-yl)(2-phenylquinolin-7-yl)methyl)isoindoline-1,3-dione
IUPAC
2-[(3-chloropyrazin-2-yl)-(2-phenylquinolin-7-yl)methyl]isoindole-1,3-dione
영어명
2-((3-chloropyrazin-2-yl)(2-phenylquinolin-7-yl)Methyl)isoindoline-1,3-dione
분자식
C28H17ClN4O2
분자량
476.91

이름 및 동의어

2-((3-chloropyrazin-2-yl)(2-phenylquinolin-7-yl)methyl)isoindoline-1,3-dione867162-39-82-[(3-chloropyrazin-2-yl)-(2-phenylquinolin-7-yl)methyl]isoindole-1,3-dioneC28H17ClN4O2SCHEMBL400150NJURFYFVLMVDIE-UHFFFAOYSA-NDTXSID301131932CS-M1236MFCD31694205AKOS0376498882-[(3-chloropyrazin-2-yl)-(2-phenylquinolin-7-yl)-methyl]-isoindole-1,3-dioneCS-13835
이름 더 보기
6-CHLORO-5-METHYL-1-(METHYLSULFONYL)-1H-INDOLE1H-Isoindole-1,3(2H)-dione, 2-[(3-chloro-2-pyrazinyl)(2-phenyl-7-quinolinyl)methyl]-
DB-2383642-[(3-Chloro-2-pyrazinyl)(2-phenyl-7-quinolinyl)methyl]-1H-isoindole-1,3(2H)-dione2-[(3-Chloro-pyrazin-2-yl)-(2-phenyl-quinolin-7-yl)-methyl]-isoindole-1,3-dione2-[(3-Chloropyrazin-2-yl)(2-phenylquinolin-7-yl)methyl]-1H-isoindole-1,3(2H)-dione2-[(3-chloropyrazin-2-yl)-(2-phenyl-7-quinolyl)methyl]isoindoline-1,3-dione

데이터베이스 식별자

CAS
867162-39-8
PubChem CID
53629013
DTXSID
DTXSID301131932

물성

구조 계산 물성

XLogP
4.9
극성 표면적
76.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
35

물리화학적 성질

끓는 점
687.8 · 687.8±55.0 °C(Predicted)
밀도
1.42 · 1.420±0.06 g/cm3(Predicted)
산도 계수 (pKa)
3.46 · 3.46±0.14(Predicted)

화학 및 산업

공급사1 곳

上海皓元医药股份有限公司021-58950125 · [email protected]

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