5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one

HCID 334509
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기본 정보

CAS
64769-68-2
표준 SMILES
CN(C)Cc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIKey
NOHFHPIPRSKJQF-UHFFFAOYSA-N
분자식
C22H21N3O2
평균 분자량
359.4 g/mol
단동위원소 질량
359.16337691

이름 및 식별자

우선 이름
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
IUPAC
6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
영어명
3-[4-(dimethylaminomethyl)phenyl]-4-methyl-7-phenyl-9-oxa-4,8-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
분자식
C22H21N3O2
분자량
359.42

이름 및 동의어

NSC33990864769-68-2CHEMBL247879NSC-339908NCIStruc1_001905NCIStruc2_001930SCHEMBL2484352DTXSID00319109NOHFHPIPRSKJQF-UHFFFAOYSA-NBDBM50371210CCG-36968NCGC00014786
이름 더 보기
1-Bromo-3-hexyldecaneIsoxazolo[4,5-c]pyridin-4(5H)-one, 6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-3-[4-(dimethylaminomethyl)phenyl]-4-methyl-7-phenyl-9-oxa-4,8-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
NCI3399085-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one6-(4-((dimethylamino)methyl)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-oneNCGC00014786-02NCGC00097887-01NCI60_003025DS-001579

데이터베이스 식별자

CAS
64769-68-2
PubChem CID
334509
DTXSID
DTXSID00319109
ChEMBL
CHEMBL247879

물성

구조 계산 물성

XLogP
3.1
극성 표면적
49.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
27

화학 및 산업

공급사3 곳

武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]

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