기본 정보
- 표준 SMILES
CC(=O)CC(C)C.CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1- InChIKey
ZHURYDDHFYWWAD-UHFFFAOYSA-N- 분자식
- C47H49ClN6O2
- 평균 분자량
- 765.4 g/mol
이름 및 식별자
- 우선 이름
- 2-n-butyl-4-chloro 1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'biphenyl-4-yl)-me thyl]-1H-imidazol-5-methanol methyl-isobutyl ketone
- IUPAC
- [2-butyl-5-chloro-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol;4-methylpentan-2-one
이름 및 동의어
SCHEMBL6755889ZHURYDDHFYWWAD-UHFFFAOYSA-N2-n-butyl-4-chloro -1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)-methyl]-1H-imidazol-5-methanol methyl-isobutyl ketone2-n-butyl-4-chloro 1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'biphenyl-4-yl) -methyl]-1H-imidazol-5-methanol methyl-isobutyl ketone2-n-butyl-4-chloro 1-[(2'-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1'biphenyl-4-yl)-me thyl]-1H-imidazol-5-methanol methyl-isobutyl ketone2-n-butyl-4-chloro-1-[(2'-(2-triphenylmethyl -2H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)-methyl]1H-imidazol-5-methanol methyl-isobutyl ketone
데이터베이스 식별자
- PubChem CID
- 69886909
물성
구조 계산 물성
- 극성 표면적
- 98.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 996
관련 반응
4건
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