(2,4-dichlorophenyl)(5-{5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}-1-methyl-1H-pyrrol-3-yl)methanone
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기본 정보
- CAS
338418-73-8- 표준 SMILES
Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(F)cc2)o1- InChIKey
WAALRDXPAKBQIB-UHFFFAOYSA-N- 분자식
- C21H14Cl2FN3O3
- 평균 분자량
- 446.3 g/mol
이름 및 식별자
- 우선 이름
- (2,4-dichlorophenyl)(5-{5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}-1-methyl-1H-pyrrol-3-yl)methanone
- IUPAC
- (2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone
- 영어명
- (2,4-Dichlorophenyl)(5-(5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrrol-3-yl)methanone
- 분자식
- C21H14Cl2FN3O3
- 분자량
- 446.26
이름 및 동의어
338418-73-8(2,4-dichlorophenyl)(5-{5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}-1-methyl-1H-pyrrol-3-yl)methanoneSMR000125242MLS000539584(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrol-3-yl]methanone2-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole(2,4-Dichlorophenyl)(5-(5-((4-fluorophenoxy)methyl)-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrrol-3-yl)methanoneOprea1_625121CHEMBL1459557BDBM44916cid_1475756HMS2154N18
이름 더 보기
(2,4-Dichlorophenyl)(5-(5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl)-1-methyl-1H-pyrrol-3-yl)methanoneMethanone, (2,4-dichlorophenyl)[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methyl-1H-pyrrol-3-yl]-
HMS3319B11AKOS0050913844F-044(2,4-dichlorophenyl)-[5-[5-[(4-fluoranylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methyl-pyrrol-3-yl]methanone(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methyl-3-pyrrolyl]methanone(2,4-dichlorophenyl)-[5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-methyl-pyrrol-3-yl]methanone
데이터베이스 식별자
- CAS
338418-73-8- ChEMBL
CHEMBL1459557
물성
구조 계산 물성보충 중
- XLogP
- 4.4
- 극성 표면적
- 70.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 596
물리화학적 성질
- 끓는 점
- 637.3 · 637.3±65.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.71 · -3.71±0.46(Predicted)
관련 반응
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