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

HCID 69886909

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

관련 반응

4건

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