4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-(methylsulfinyl)ethyl]-1-naphthalenecarboxamide

HCID 68512816

기본 정보

표준 SMILES
CS(=O)CCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12
InChIKey
GTVOADUEDHHMPM-UHFFFAOYSA-N
분자식
C24H19Cl2F3N2O3S
평균 분자량
543.4 g/mol
단동위원소 질량
542.0445535

이름 및 식별자

우선 이름
4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-(methylsulfinyl)ethyl]-1-naphthalenecarboxamide
IUPAC
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-methylsulfinylethyl)naphthalene-1-carboxamide

이름 및 동의어

4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-(methylsulfinyl)ethyl]-1-naphthalenecarboxamide4-[5-[3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-(methylsulfinyl)ethyl]-1-naphthalenecarboxamideSCHEMBL3103136

데이터베이스 식별자

PubChem CID
68512816

물성

구조 계산 물성

XLogP
5.1
극성 표면적
87 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
35

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7건

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