1-butyl-2-{2'-[2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl]biphenyl-4-ylmethyl}1H-indole-3-carboxylic acid
기본 정보
- 표준 SMILES
CCCCn1c(Cc2ccc(-c3ccccc3-c3nnn(C(C)(C)c4ccccc4)n3)cc2)c(C(=O)O)c2ccccc21- InChIKey
JQAOQHUWIUKHTL-UHFFFAOYSA-N- 분자식
- C36H35N5O2
- 평균 분자량
- 569.7 g/mol
이름 및 식별자
- 우선 이름
- 1-butyl-2-{2'-[2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl]biphenyl-4-ylmethyl}1H-indole-3-carboxylic acid
- IUPAC
- 1-butyl-2-[[4-[2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]phenyl]methyl]indole-3-carboxylic acid
이름 및 동의어
1-butyl-2-[2'-(2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid1-butyl-2-{2'-[2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl]biphenyl-4-ylmethyl}-1H-indole-3-carboxylic acidSCHEMBL7346882JQAOQHUWIUKHTL-UHFFFAOYSA-N1-butyl-2-[ 2' -(2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl)biphenyl-4ylmethyl]-1H-indole-3-carboxylic acid1-butyl-2-{2'-[2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl]biphenyl-4-ylmethyl}1H-indole-3-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 10370781
- Nikkaji
- J684.544D
물성
구조 계산 물성
- XLogP
- 8.3
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 900
관련 반응
11건
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