기본 정보
- CAS
258336-05-9- 표준 SMILES
Cc1cc(CCCOc2c(C)cc(-n3nnc(C)n3)cc2C)on1- InChIKey
DRCNRTRGWUYJBH-UHFFFAOYSA-N- 분자식
- C17H21N5O2
- 평균 분자량
- 327.4 g/mol
- 단동위원소 질량
- 327.16952493
이름 및 식별자
- 우선 이름
- 2-(3,5-Dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-methyl-2H-tetrazole
- IUPAC
- 5-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole
이름 및 동의어
A5HE3QC9H52,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL258336-05-92,6-Dimethyl-1-(3-(3-methyl-5-isoxazolyl)-propanyl)-4-(4-methyl-2H-tetrazol-2-yl)-phenol2-(3,5-Dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-methyl-2H-tetrazole2H-Tetrazole, 2-(3,5-dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-methyl-5-(3-(2,6-Dimethyl-4-(5-methyl-1,2,3,4-tetrazol-2-yl)phenoxy)propyl)-3-methyl-1,2-oxazole2-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-methyl-2h-1,2,3,4-tetrazole2-(3,5-dimethyl-4-(3-(3-methyl-1,2-oxazol-5-yl)propoxy)phenyl)-5-methyl-2H-1,2,3,4-tetrazoleRefChem:454761UNII-A5HE3QC9H52-{3,5-Dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole
이름 더 보기
WIN68934WIN 68934DB087145-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazolePD004187W02NS00070266Q27097900
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 387
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
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