2-(2-Trifluoromethoxy-phenyl)-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-methoxy-ethyl)-methyl-amino]-pyridin-3-yl)-amide
기본 정보
- 표준 SMILES
COCCN(C)c1ccc(NC(=O)c2nc(-c3ccccc3OC(F)(F)F)oc2C(F)(F)F)cn1- InChIKey
NWSHSSJEYZALMN-UHFFFAOYSA-N- 분자식
- C21H18F6N4O4
- 평균 분자량
- 504.4 g/mol
- 단동위원소 질량
- 504.12322404
이름 및 식별자
- 우선 이름
- 2-(2-Trifluoromethoxy-phenyl)-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-methoxy-ethyl)-methyl-amino]-pyridin-3-yl)-amide
- IUPAC
- N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
이름 및 동의어
2-(2-trifluoromethoxy-phenyl)-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-methoxy-ethyl)-methyl-amino]-pyridin-3-yl)-amide2-(2-trifluoromethoxy-phenyl)-5-trifluoromethyl-oxazole-4-carboxylic acid {6-[(2-methoxy-ethyl)-methyl-amino]-pyridin-3-yl}-amideSCHEMBL4969380
데이터베이스 식별자
- PubChem CID
- 59301284
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 89.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 698
관련 반응
2건
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