기본 정보
- CAS
569685-49-0- 표준 SMILES
COC(=O)c1ccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)cc1- InChIKey
CLMUVRWVDIEYLM-UHFFFAOYSA-N- 분자식
- C21H13F3N2O3S
- 평균 분자량
- 430.4 g/mol
- 단동위원소 질량
- 430.05989794
이름 및 식별자
- 우선 이름
- 3-[4-(Carbomethoxy)phenyl]-5-(4-phenyl-5-trifluoromethyl-2-thienyl)-1,2,4-oxadiazole
- IUPAC
- methyl 4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
- 영어명
- 3-[(4-carboMethoxy)phenyl]-5-(4-phenyl-5-trifluoroMethyl-2-thienyl)-1,2,4-oxadiazole
- 분자식
- C21H13F3N2O3S
- 분자량
- 430.4
이름 및 동의어
3-[4-(carbomethoxy)phenyl]-5-(4-phenyl-5-trifluoromethyl-2-thienyl)-1,2,4-oxadiazoleMethyl 4-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]benzoateSCHEMBL3821552569685-49-0DA-325683-[(4-carboMethoxy)phenyl]-5-(4-phenyl-5-trifluoroMethyl-2-thienyl)-1,2,4-oxadiazolemethyl 4-(5-(5-(trifluoromethyl)-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl)benzoateBenzoic acid, 4-[5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl]-, methyl ester
데이터베이스 식별자
- CAS
569685-49-0- PubChem CID
- 11327870
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 93.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 595
화학 및 산업
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