기본 정보
- 표준 SMILES
CC1(C)OB(c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)OC1(C)C- InChIKey
YNESXENNYVJJQN-UHFFFAOYSA-N- 분자식
- C20H22BF3N2O3
- 평균 분자량
- 406.2 g/mol
- 단동위원소 질량
- 406.1675572
이름 및 식별자
- 우선 이름
- 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
- IUPAC
- 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
이름 및 동의어
796967-48-11-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]ureaSCHEMBL59604C20H22BF3N2O3MFCD15530091AS-76921DA-02697D93570F817508A1-281261-(4-(4455-tetramethyl-132-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
이름 더 보기
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(3-(trifluoro methyl)phenyl)urea1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-(3-trifluoromethyl-phenyl)-ureaN-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N'-[3-(trifluoromethyl)-phenyl]urean-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-n'-[3-(trifluoromethyl)phenyl]urea
데이터베이스 식별자
- PubChem CID
- 16125103
물성
구조 계산 물성
- 극성 표면적
- 59.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 576
관련 반응
25건
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