기본 정보
- CAS
712347-11-0- 표준 SMILES
CCc1c(C)sc(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c1C#N- InChIKey
DERQFVRMYBNLHC-UHFFFAOYSA-N- 분자식
- C18H15ClFN3O2S
- 평균 분자량
- 391.8 g/mol
이름 및 식별자
- 우선 이름
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
- 영어명
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4,5-dihydro-5-isoxazolecarboxamide
- 분자식
- C18H15ClFN3O2S
- 분자량
- 391.8470032
이름 및 동의어
3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamideMLS001201426CHEMBL1402316HMS2830K04STK341153AKOS000556348AKOS022070945SMR000524471ST50029269AN-329/43211343[3-(2-chloro-6-fluorophenyl)(4,5-dihydroisoxazol-5-yl)]-N-(3-cyano-4-ethyl-5-m ethyl(2-thienyl))carboxamide3-(2-Chloro-6-fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid (3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-amide
이름 더 보기
3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-4,5-dihydro-5-isoxazolecarboxamide712347-11-0
데이터베이스 식별자
- CAS
712347-11-0- ChEMBL
CHEMBL1402316
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 625
화학 및 산업
공급사1 곳
SPECS[email protected]
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