기본 정보
- 표준 SMILES
CCC(CC(=O)N=[N+]=[N-])c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.CCC(CN=C=O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1- InChIKey
JGWHSHWJWPPPEY-UHFFFAOYSA-N- 분자식
- C40H34F6N10O4
- 평균 분자량
- 832.8 g/mol
이름 및 식별자
- 우선 이름
- 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1 H-1,2,4-triazol-3-yl)phenyl)pentanoyl azide 3-(4-(1-isocyanatobutan-2-yl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole
- IUPAC
- 3-[4-(1-isocyanatobutan-2-yl)phenyl]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole;3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]pentanoyl azide
이름 및 동의어
SCHEMBL16049340JGWHSHWJWPPPEY-UHFFFAOYSA-N3-(4-(1-(4-(trifluoromethoxy)phenyl)-1 H-1,2,4-triazol-3-yl)phenyl)pentanoyl azide 3-(4-(1-isocyanatobutan-2-yl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)pentanoyl azide 3-(4-(1-isocyanatobutan-2-yl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole
데이터베이스 식별자
- PubChem CID
- 90418760
물성
구조 계산 물성
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,200
관련 반응
15건
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