기본 정보
- 표준 SMILES
Cc1cnc(CSc2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1- InChIKey
PDJFCIIMPPXKEZ-UHFFFAOYSA-N- 분자식
- C22H27N3O3S
- 평균 분자량
- 413.5 g/mol
이름 및 식별자
- 우선 이름
- 1H-Benzimidazole, 2-[[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methyl]thio]-
- IUPAC
- 2-[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
이름 및 동의어
1H-Benzimidazole, 2-[[[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethyl-2-pyridinyl]methyl]thio]-913696-27-22-(((4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzimidazole2-(((4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzimidazole2-({[4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl]methyl}thio)-1H-benzimidazole2-[[[4-[(2,2-Dimethyl-1,3-dioxan-5-yl)methoxy]-3,5-dimethylpyridin-2-yl]methyl]thio]-1H-benzimidazoleanalog of E-3710SCHEMBL710578PDJFCIIMPPXKEZ-UHFFFAOYSA-N
데이터베이스 식별자
- PubChem CID
- 24880780
- Nikkaji
- J2.629.187I
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 94.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 527
관련 반응
23건
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